Basic Information | Post buying leads | Suppliers |
Name |
(r)-3-amino-4-(4-cyanophenyl)butanoic acid |
EINECS | N/A |
CAS No. | 269726-85-4 | Density | 1.24 |
PSA | 87.11000 | LogP | 2.40508 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13ClN2O2 | Boiling Point | 435 °C at 760 mmHg |
Molecular Weight | 240.69 | Flash Point | 216.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(3R)-3-Amino-4-(4-cyanophenyl)butanoic acid hydrochloride;(3R)-3-Amino-4-(4-cyanophenyl)butanoic acid hydrochloride (1:1);Benzenebutanoic acid, β-amino-4-cyano-, (betaR)-, hydrochloride (1:1);(R)-3-Amino-4-(4-cyano-phenyl)-butyric acid-HCl;TL8002151; |
The (R)-3-Amino-4-(4-cyanophenyl)butanoic acid hydrochloride, with the CAS registry number 269726-85-4, is also known as (3R)-3-Amino-4-(4-cyanophenyl)butanoic acid 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 Benzenebutanoic acid, beta-amino-4-cyano-, (betaR)-, hydrochloride (1:1). It is irritant.
Physical properties of (R)-3-Amino-4-(4-cyanophenyl)butanoic acid hydrochloride are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 87.11 Å2; (7)Flash Point: 216.9 °C; (8)Enthalpy of Vaporization: 72.86 kJ/mol; (9)Boiling Point: 435 °C at 760 mmHg; (10)Vapour Pressure: 2.45E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N[C@H](Cc1ccc(cc1)C#N)CC(O)=OXQQBWUZSLDACSS-HNCPQSOCBQ
(2)InChI: InChI=1S/C11H12N2O2.ClH/c12-7-9-3-1-8(2-4-9)5-10(13)6-11(14)15;/h1-4,10H,5-6,13H2,(H,14,15);1H/t10-;/m1./s1
(3)InChIKey: XQQBWUZSLDACSS-HNCPQSOCSA-N