3-Nitropropionic acid - ≥97% , CAS No.504-88-1

CAS: 504-88-1 Cat. No.: N106587 Molecular Weight: 119.08 Beilstein Registry Number: 1759889 EC Number: 208-003-0
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
3-NP | Bovinocidin | 3-NP acid | β-Nitropropionic acid
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
N106587-100mg
3

$19.90

$27.90
Save $8.00 (28.67%)
250mg
N106587-250mg
1
$41.90
1g
N106587-1g
1
$99.90
5g
N106587-5g
1
$379.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Excitotoxin shown to cause brain lesions similar to those of Huntington′s disease.3-Nitropropionic acid (β-Nitropropionic Acid, 3-NP) is an irreversible inhibitor of mitochondrial respiratory Complex II succinate dehydrogenase, resulting in energy depletion through disruption of the electron transport chain.

Specifications

Synonyms
3-NP | Bovinocidin | 3-NP acid | β-Nitropropionic acid
Specifications & Purity
≥97%
Biochemical and Physiological Mechanisms
3-Nitropropionic acid is a potent irreversible inhibitor of mitochondrial complex II enzyme, which causes dysfunction and oxidative stress in mitochondria. 3-Nitropropionic acid is an important research compound because it can simulate the effects on cell
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥97%
Names and Identifiers
Pubchem Sid508809055
Canonical SmilesC(C[N+](=O)[O-])C(=O)O
IUPAC Name3-nitropropanoic acid
InChIKeyWBLZUCOIBUDNBV-UHFFFAOYSA-N
INCHI1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
Isomeric SMILES C(C[N+](=O)[O-])C(=O)O
WGK Germany 3
RTECS UF6220000
UN Number 2811
Packing Group I
Molecular Weight 119.08
Beilstein 1759889
Reaxy-Rn 1759889
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759889&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic 1,3-dipolar compounds
ClassAllyl-type 1,3-dipolar organic compounds
SubclassOrganic nitro compounds
Intermediate Tree Nodes Not available
Direct ParentC-nitro compounds
Alternative Parents Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon.
External Descriptors C-nitro compound
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HBB Tbio Hemoglobin beta chain (329 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H187 (598 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mycobacterium avium (4587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacterium kansasii (6484 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycolicibacterium smegmatis (8003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus fumigatus (16427 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichophyton rubrum (3646 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vero (26788 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ICL1 Isocitrate lyase (219 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichophyton mentagrophytes (4846 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
icl1 Isocitrate lyase 1 (45 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

21 results found

Lot NumberCertificate TypeDateItem
D2524344Certificate of AnalysisApr 10, 2025 N106587
D2524258Certificate of AnalysisApr 10, 2025 N106587
D2524259Certificate of AnalysisApr 10, 2025 N106587
H2402536Certificate of AnalysisJul 19, 2024 N106587
H2402535Certificate of AnalysisJul 19, 2024 N106587
H2402534Certificate of AnalysisJul 19, 2024 N106587
D2428383Certificate of AnalysisMar 12, 2024 N106587
C2401398Certificate of AnalysisFeb 04, 2024 N106587
C2401399Certificate of AnalysisFeb 04, 2024 N106587
C2401400Certificate of AnalysisFeb 04, 2024 N106587
C2401401Certificate of AnalysisFeb 04, 2024 N106587
C2401402Certificate of AnalysisFeb 04, 2024 N106587
C2401405Certificate of AnalysisFeb 04, 2024 N106587
C2401406Certificate of AnalysisFeb 04, 2024 N106587
G2402129Certificate of AnalysisFeb 04, 2024 N106587
D2311880Certificate of AnalysisFeb 10, 2023 N106587
D2312753Certificate of AnalysisFeb 10, 2023 N106587
D2311902Certificate of AnalysisFeb 10, 2023 N106587
B2427589Certificate of AnalysisFeb 10, 2023 N106587
D2311876Certificate of AnalysisFeb 10, 2023 N106587
B2427590Certificate of AnalysisFeb 10, 2023 N106587

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Chemical and Physical Properties
SensitivityLight sensitive;Moisture sensitive
Melt Point(°C)68-70°C
Molecular Weight119.080 g/mol
XLogP3-0.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass119.022 Da
Monoisotopic Mass119.022 Da
Topological Polar Surface Area83.100 Ų
Heavy Atom Count8
Formal Charge0
Complexity104.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Shanshan Wang, Qifeng Li, Fanghui Wang.  (2020)  The effect of imidazolated PPO with different alkyl chains on its performance as a high temperature proton exchange membrane.  Polymer-Plastics Technology and Materials,      [PMID:] [10.1080/25740881.2020.1750650]
2. Suxia Wang, Min Zhou, Yongxi Zhu, Bo Peng, Jia Yang, Yongjun Ma.  (2020)  Voltammetric Detection of 3-Nitropropionic Acid in Sugarcane Juices Using a Poly(L-citrulline)/Lanthanide-Containing Cyano-Bridged Heterometallic Coordination Polymer Modified Electrode.  JOURNAL OF THE ELECTROCHEMICAL SOCIETY,  167  (8): (086508).  [PMID:] [10.1149/1945-7111/ab8ece]
3. Liwei Gao, Dingfeng Wang, Siting Peng, Wendi Xiao, Xinru Liu, Houwen Hu, Ting Zhang, Xuan Leng, Da Chen.  (2025)  An efficient and fast strategy for the ratiometric detection and differentiation of nitrophenols using triple-excited carbon dots under neutral conditions.  FOOD CHEMISTRY,      [PMID:41016162] [10.1016/j.foodchem.2025.146535]
Solution Calculators
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