(S)-3-Amino-4-(2-cyanophenyl)butanoic acid supplier

Name
(S)-3-AMINO-4-(2-CYANOPHENYL)BUTANOIC ACID HYDROCHLORIDE
EINECS
CAS No. 270065-82-2
Density 1.24
Solubility
Melting Point
Formula C₁₁H₁₃ClN₂O₂
Boiling Point 394.2 °C at 760 mmHg
Molecular Weight 240.69
Flash Point 192.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S)-3-Amino-4-(2-cyanophenyl)butanoic acid hydrochloride;(3S)-3-Amino-4-(2-cyanophenyl)butanoic acid hydrochloride (1:1);Benzenebutanoic acid, β-amino-2-cyano-, (betaS)-, hydrochloride (1:1);(S)-3-Amino-4-(2-cyano-phenyl)-butyric acid-HCl;TL8002170;
PSA 87.11000
LogP 2.40508

(S)-3-Amino-4-(2-cyanophenyl)butanoic acid Specification

The (S)-3-Amino-4-(2-cyanophenyl)butanoic acid hydrochloride, with the CAS registry number 270065-82-2, is also known as Benzenebutanoic acid, β-amino-2-cyano-, (betaS)-, hydrochloride (1:1). It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₁₁H₁₃ClN₂O₂ and molecular weight is 240.69. What's more, its systematic name is (3S)-3-amino-4-(2-cyanophenyl)butanoic acid hydrochloride.

Physical properties of (S)-3-Amino-4-(2-cyanophenyl)butanoic acid hydrochloride are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.73; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 53.33 Å²; (10)Flash Point: 192.2 °C; (11)Enthalpy of Vaporization: 67.95 kJ/mol; (12)Boiling Point: 394.2 °C at 760 mmHg; (13)Vapour Pressure: 6.36E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C[C@@H](N)Cc1ccccc1C#N
(2)InChI: InChI=1S/C11H12N2O2.ClH/c12-7-9-4-2-1-3-8(9)5-10(13)6-11(14)15;/h1-4,10H,5-6,13H2,(H,14,15);1H/t10-;/m0./s1
(3)InChIKey: YUGYFQMRAJZGBQ-PPHPATTJSA-N

Product Name

(S)-3-AMINO-4-(2-CYANOPHENYL)BUTANOIC ACID HYDROCHLORIDE

(S)-3-Amino-4-(2-cyanophenyl)butanoic acid Specification

Related Products

Hot Products