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b-Cyano-L-alanine

CAT: 0572-TRC-C955100-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C955100-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6232-19-5
Synonyms
3-Cyano-L-alanine; (2S)-2-Amino-3-cyanopropanoic Acid; L-2-Amino-3-cyanopropanoic Acid; L-3-Cyanoalanine; L-β-Cyanoalanine β-Cyano-L-alanine;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
N[C@@H](CC#N)C(O)=O
Molecular Formula
C4H6N2O2
Molecular Weight
114.1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-cyano-L-alanine

3-cyano-L-alanine is a cyanoamino acid that is the 3-cyano-derivative of L-alanine. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human 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.

CAS Number6232-19-5
PubChem CID439742
IUPAC Name(2S)-2-amino-3-cyanopropanoic acid
Molecular FormulaC4H6N2O2
Molecular Weight114.10
XLogP-3.7
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity134
SMILES
C(C#N)[C@@H](C(=O)O)N
InChI
InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
InChIKey
BXRLWGXPSRYJDZ-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of 3-cyano-L-alanine
CAS: 6232-19-5
CID: 439742
Formula: C4H6N2O2
MW: 114.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.10
XLogP3-3.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass114.042927438
Monoisotopic Mass114.042927438
Topological Polar Surface Area87.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-125773R-01β-cyano-L-Alanine (Standard)
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