2-(2-Nitro-1H-imidazol-1-yl)acetic acid - ≥95% , CAS No.22813-32-7

CAS: 22813-32-7 Cat. No.: N665085 Peso molecular: 171.11 PubChem CID: 327544
Disponible para pedir
GRADE & PURITY ≥95%
Synonyms
2-(2-Nitroimidazol-1-yl)acetic acid
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
N665085-100mg
1
43,90US$
250mg
N665085-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
85,90US$
1g
N665085-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
239,90US$
5g
N665085-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
916,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
2-(2-Nitroimidazol-1-yl)acetic acid
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Desiccated
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasC1=CN(C(=N1)[N+](=O)[O-])CC(=O)O
IUPAC Name2-(2-nitroimidazol-1-yl)acetic acid
InChIKeyTYDGDUVFDYKZMY-UHFFFAOYSA-N
INCHI1S/C5H5N3O4/c9-4(10)3-7-2-1-6-5(7)8(11)12/h1-2H,3H2,(H,9,10)
Isómeros SMILES C1=CN(C(=N1)[N+](=O)[O-])CC(=O)O
PubChem CID 327544
Peso molecular 171.11

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 acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives
Direct ParentAlpha amino acids and derivatives
Alternative Parents Nitroaromatic compounds  Imidazolyl carboxylic acids and derivatives  N-substituted imidazoles  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organonitrogen compounds  Organic zwitterions  Organic salts  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alpha-amino acid or derivatives - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
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A498 (42825 Activities)
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ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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RXF 393 (41971 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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NCI/ADR-RES (33767 Activities)
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T47D (39041 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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HOP-92 (41141 Activities)
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Hs-578T (29457 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

5 results found

Lot NumberCertificate TypeFechaArticulo
F2608496Certificate of AnalysisApr 18, 2026 N665085
F2608497Certificate of AnalysisApr 18, 2026 N665085
F2608501Certificate of AnalysisApr 18, 2026 N665085
F2608502Certificate of AnalysisApr 18, 2026 N665085
E2417365Certificate of AnalysisMar 20, 2024 N665085
Propiedades químicas y físicas
Peso molecular171.110 g/mol
XLogP3-0.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass171.028 Da
Monoisotopic Mass171.028 Da
Topological Polar Surface Area101.000 Ų
Heavy Atom Count12
Formal Charge0
Complexity201.000
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
Calculadoras de soluciones
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