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β-Cyano-L-alanine

β-Cyano-L-alanine structure

CAS No:
6232-19-5
Formula:
C4H6N2O2
Chemical Name:
β-Cyano-L-alanine
Synonyms:
L-Alanine,3-cyano-;Alanine,3-cyano-,L-;3-Cyano-L-alanine;L-β-Cyanoalanine;β-Cyano-L-alanine;L-3-Cyanoalanine;L-2-Amino-3-cyanopropanoic acid;(2S)-2-Amino-3-cyanopropanoic acid
Categories:
Chemical Reagents > Organic Reagents

Description

β-cyano-L-Alanine (Beta-cyano-l-alanine), a nitrile of widespread occurrence in higher plants, is enzymatically produced by cyanoalanine synthase from cyanide and cysteine as substrates[1]. β-cyano-L-Alanine abolishes the protective effect of ethanol on cerebral ischemia/reperfusion (I/R) injury[2].

3-cyano-L-alanine is a cyanoamino acid that is the 3-cyano-derivative of L-alanine. It has a role as an Escherichia coli metabolite, a human metabolite and a mouse metabolite. It is a cyanoamino acid and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a 3-cyano-L-alaninate. It is a tautomer of a 3-cyano-L-alanine zwitterion.

β-Cyano-L-alanine Basic Attributes

Molecular Weight：

114.1

Exact Mass：

114.10

UNII：

B75AJA4DCJ

HScode：

2926909090

Characteristics

PSA：

87.1

XLogP3：

-0.72

Density：

1.3±0.1 g/cm3

Melting Point：

213-216 °C (decomp)

Boiling Point：

368.1±32.0 °C at 760 mmHg

Flash Point：

176.4±25.1 °C

Refractive Index：

1.502

Storage Conditions：

−20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

3-cyanoalanine

Computed Properties

Molecular Weight:114.10
XLogP3:-3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:114.042927438
Monoisotopic Mass:114.042927438
Topological Polar Surface Area:87.1
Heavy Atom Count:8
Complexity:134
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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β-cyano-L-Alanine

Unit Price: $10346-12000 /G FOB

CAS No.: 6232-19-5

Grade: Industrial Grade

Content: 98%

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