L-Alanine, 3-cyano- supplier

Name
BETA-CYANO-L-ALANINE
EINECS
CAS No. 6232-19-5
Article Data11
CAS DataBase
Density 1.317 g/cm³
Solubility
Melting Point
Formula C₄H₆N₂O₂
Boiling Point 368.1 °C at 760 mmHg
Molecular Weight 114.104
Flash Point 176.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,3-cyano-, L- (8CI);(2S)-2-Amino-3-cyanopropanoic acid;3-Cyano-L-alanine;L-2-Amino-3-cyanopropanoic acid;L-3-Cyanoalanine;L-β-Cyanoalanine;β-Cyano-L-alanine;
PSA 87.11000
LogP 0.01228

L-Alanine, 3-cyano- Specification

The L-Alanine, 3-cyano-, with the CAS registry number of 6232-19-5, is also known as β-Cyano-L-alanine. It belongs to the product categories of A-H; Amino Acids; Modified Amino Acids. This chemical's molecular formula is C₄H₆N₂O₂ and molecular weight is 114.1. What's more, its IUPAC name is (2S)-2-Amino-3-cyanopropanoic acid. Besides, it should be stored at -20 °C.

Physical properties about L-Alanine, 3-cyano- are: (1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 53.33 Å²; (11)Index of Refraction: 1.501; (12)Molar Refractivity: 25.55 cm³; (13)Molar Volume: 86.6 cm³; (14)Polarizability: 10.12×10^-24 cm³; (15)Surface Tension: 66.9 dyne/cm; (16)Density: 1.317 g/cm³; (17)Flash Point: 176.4 °C; (18)Enthalpy of Vaporization: 67.51 kJ/mol; (19)Boiling Point: 368.1 °C at 760 mmHg; (20)Vapour Pressure: 2E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC[C@H](N)C(=O)O
(2) InChI: InChI=1/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
(3) InChIKey: BXRLWGXPSRYJDZ-VKHMYHEABX

Product Name

BETA-CYANO-L-ALANINE

L-Alanine, 3-cyano- Specification

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