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Name	3-Cyanoalanine	EINECS	N/A
CAS No.	923-01-3	Density	1.317g/cm³
PSA	87.11000	LogP	0.01228
Solubility	N/A	Melting Point	N/A
Formula	C4H6 N2 O2	Boiling Point	368.1°Cat760mmHg
Molecular Weight	114.104	Flash Point	176.4°C
Transport Information	N/A	Appearance	N/A
Safety	A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2-Amino-3-cyanopropanoicacid; NSC 529055; b-Cyanoalanine	Article Data	2

3-Cyanoalanine Chemical Properties

Molecule structure of 3-Cyanoalanine (CAS NO.923-01-3) :

IUPAC Name: 2-amino-3-cyanopropanoic acid
Molecular Weight: 114.10264 g/mol
Molecular Formula: C₄H₆N₂O₂
Density: 1.317 g/cm³
Boiling Point: 368.1 °C at 760 mmHg
Flash Point: 176.4 °C
Index of Refraction: 1.501
Molar Refractivity: 25.55 cm³
Molar Volume: 86.6 cm³
Polarizability: 10.12*10^-24 cm³
Surface Tension: 66.9 dyne/cm
Enthalpy of Vaporization: 67.51 kJ/mol
Vapour Pressure: 2E-06 mmHg at 25 °C
XLogP3-AA: -3.7
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 114.042927
MonoIsotopic Mass: 114.042927
Topological Polar Surface Area: 87.1
Heavy Atom Count: 8
Complexity: 134
Canonical SMILES: C(C#N)C(C(=O)O)N
InChI: InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)
InChIKey of 3-Cyanoalanine (CAS NO.923-01-3) : BXRLWGXPSRYJDZ-UHFFFAOYSA-N

3-Cyanoalanine Toxicity Data With Reference

scu-rat LD50:134 mg/kg

BCPCA6 Biochemical Pharmacology. 16 (1967),2309.

3-Cyanoalanine Safety Profile

A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NO_x.

3-Cyanoalanine Specification

3-Cyanoalanine (CAS NO.923-01-3) is also called BCNA ; NSC 529055 ; beta-Cyanoalanine ; beta-Cyanolalanine ; Alanine, 3-cyano- .

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