N-(3-aminopropyl)butane-1,4-diaminetrihydrochloride - ≥98% , CAS No.334-50-9

CAS: 334-50-9 Cat. No.: N136556 Molecular Weight: 254.63 Beilstein Registry Number: 3552356 EC Number: 206-379-0 PubChem CID: 9539

GRADE & PURITY ≥98%

Synonyms

1,4-Butanediamine, N-(3-aminopropyl), hydrochloride | AS-69484 | HY-B1776A | LP01047 | SPERMIDINE HCL [INCI] | MFCD00012918 | 1O14BED398 | 4-Azoniaoctamethylenediammonium trichloride | NCGC00094332-02 | S-7320 | S 2501 | N1-(3-Aminopropyl)butane-1,4-diami

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 4-Butanediamine, N-(3-aminopropyl), hydrochloride | AS-69484 | HY-B1776A | LP01047 | SPERMIDINE HCL [INCI] | MFCD00012918 | 1O14BED398 | 4-Azoniaoctamethylenediammonium trichloride | NCGC00094332-02 | S-7320 | S 2501 | N1-(3-Aminopropyl)butane-1, 4-diami

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Inhibits neuronal nitric oxide synthase (nNOS). Binds and precipitates DNA; can be used to purify DNA-binding proteins. Stimulates T4 polynucleotide kinase activity.

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751841
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751841
• Canonical Smiles: C(CCNCCCN)CN.Cl.Cl.Cl
• IUPAC Name: N'-(3-aminopropyl)butane-1,4-diamine;trihydrochloride
• InChIKey: LCNBIHVSOPXFMR-UHFFFAOYSA-N
• INCHI: 1S/C7H19N3.3ClH/c8-4-1-2-6-10-7-3-5-9;;;/h10H,1-9H2;3*1H
• Isomeric SMILES: C(CCNCCCN)CN.Cl.Cl.Cl
• WGK Germany: 3
• RTECS: EJ7023000
• PubChem CID: 9539
• Molecular Weight: 254.63
• Beilstein: 3552356

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Primary aliphatic amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: water: 100 mg/mL, clear, colorless
• Sensitivity: Moisture sensitive
• Melt Point(°C): 257-259 °C
• Molecular Weight: 254.600 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 253.088 Da
• Monoisotopic Mass: 253.088 Da
• Topological Polar Surface Area: 64.099 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 56.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3

References

1. Shijin Xiong, Xiaoyan Xu, Qiaozhen Liu, Yazhou Xu, Hongbing Ren, Tao Xiong, Mingyong Xie.  (2023)  Integrated metatranscriptomics and metabolomics revealed the metabolic pathways of biogenic amines during Laotan Suancai fermentation.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2023.103517]

2. Xirui Chen, Yujie Tu, Song Cheng, Xujing Guo, Tianying Lu, Yuqian Guo, Xiaolin Huang, Yonghua Xiong, Ben Zhong Tang.  (2022)  A colorimetric and ratiometric fluorescent paper chip for biogenic amine monitoring based on a simple pH-sensitive AIEgen.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.137928]

3. Xujing Guo, Xirui Chen, Rui Chen, Yujie Tu, Tianying Lu, Yuqian Guo, Liang Guo, Yonghua Xiong, Xiaolin Huang, Ben Zhong Tang.  (2022)  Ratiometric Monitoring of Biogenic Amines by a Simple Ammonia-Response Aiegen.  Foods,  11  (7): (932).  [PMID:35407018] [10.3390/foods11070932]

4. Han Huang, Yudi Liu, Yanjun Tong, Wei Zhao, Xiaomei Lyu, Ruijin Yang.  (2024)  High-Pressure Processing for Pickled Crabs: Safety, Quality and Flavor Assessment and Correlation Analysis of Spoilage Indicators.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.105227]