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CAS No.: | 269726-79-6 |
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Name: | (R)-3-AMINO-4-(2-CYANOPHENYL)BUTANOIC ACID HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C11H13ClN2O2 |
Molecular Weight: | 240.69 |
Synonyms: | (3R)-3-Amino-4-(2-cyanophenyl)butanoic acid hydrochloride;(3R)-3-Amino-4-(2-cyanophenyl)butanoic acid hydrochloride (1:1);Benzenebutanoic acid, β-amino-2-cyano-, (betaR)-, hydrochloride (1:1);(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid-HCl;TL8002149; |
Density: | 1.24 |
Boiling Point: | 419.5 °C at 760 mmHg |
Flash Point: | 207.5 °C |
PSA: | 87.11000 |
LogP: | 2.40508 |
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The (R)-3-Amino-4-(2-cyanophenyl)butanoic acid hydrochloride, with the CAS registry number 269726-79-6, is also known as Benzenebutanoic acid, β-amino-2-cyano-, (betaR)-, 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-2-cyano-, (betaR)-, hydrochloride (1:1). It is irritant.
Physical properties of (R)-3-Amino-4-(2-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: 207.5 °C; (8)Enthalpy of Vaporization: 70.98 kJ/mol; (9)Boiling Point: 419.5 °C at 760 mmHg; (10)Vapour Pressure: 8.67E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N[C@H](Cc1ccccc1C#N)CC(O)=O
(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-;/m1./s1
(3)InChIKey: YUGYFQMRAJZGBQ-HNCPQSOCSA-N