IUPAC Name: (3R)-3-Amino-4-(3-cyanophenyl)butanoic acid hydrochloride
Synonyms of (R)-3-Amino-4-(3-cyanophenyl)butanoic acid hydrochloride (CAS NO.269726-82-1): 3-Cyano-D-beta-homophenylalanine hydrochloride ; D-Beta-homo(3-cyanophenyl)alanine hydrochloride ; H-D-Beta-hophe(3-CN)-OH HCL ; H-D-PHE(3-CN)-(C*CH2)OH HCL ; (R)-3-Amino-4-(3-cyanophenyl)butanoic acid hydrochloride ; (R)-3-Amino-4-(3-cyano-phenyl)-butyric acid HCL ; (R)-3-Amino-4-(3-cyanophenyl)butyric acid hydrochloride ; RARECHEM AK PT 0020
CAS NO: 269726-82-1
Molecular Formula:C₁₁H₁₃ClN₂O₂
Molecular Weight: 215.6767
Molecular Structure:
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 87.11Ų
Flash Point: 211 °C
Enthalpy of Vaporization: 71.67 kJ/mol
Boiling Point: 425.3 °C at 760 mmHg
Vapour Pressure: 5.45E-08 mmHg at 25°C
Product Categories of (R)-3-Amino-4-(3-cyanophenyl)butanoic acid hydrochloride (CAS NO.269726-82-1): 3-Amino-4-phenylbutanoic Acid Analogs;B-Amino
SMILES: Cl.N[C@H](Cc1cccc(c1)C#N)CC(O)=O
InChI: InChI=1/C11H12N2O2.ClH/c12-7-9-3-1-2-8(4-9)5-10(13)6-11(14)15;/h1-4,10H,5-6,13H2,(H,14,15);1H/t10-;/m1./s1
InChIKey: NJAIOCXWQMXNIX-HNCPQSOCBJ
Std. InChI: InChI=1S/C11H12N2O2.ClH/c12-7-9-3-1-2-8(4-9)5-10(13)6-11(14)15;/h1-4,10H,5-6,13H2,(H,14,15);1H/t10-;/m1./s1
Std. InChIKey: NJAIOCXWQMXNIX-HNCPQSOCSA-N