InChI: | InChI=1/C11H15NO2.ClH/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1 |
Specification: |
The cas register number of (R)-3-Amino-4-(2-methylphenyl)butyric acid hydrochloride is 269398-79-0. It also can be called as Benzenebutanoic acid, b-amino-2-methyl-, (bR)- and the Systematic name about this chemical is Benzenebutanoic acid, beta-amino-2-methyl-, (betaR)-, hydrochloride (1:1). It belongs to the following product categories, such as 3-Amino-4-phenylbutanoic Acid Analogs, B-Amino and so on.
Physical properties about (R)-3-Amino-4-(2-methylphenyl)butyric acid hydrochloride are: (1)ACD/LogP: 1.79; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 63.32Å2; (6)Enthalpy of Vaporization: 65.93 kJ/mol; (7)Vapour Pressure: 2.31E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N[C@H](Cc1ccccc1C)CC(O)=O
(2)InChI: InChI=1/C11H15NO2.ClH/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1
(3)InChIKey: WQUTWBVBKSYCPR-HNCPQSOCBD
(4)Std. InChI: InChI=1S/C11H15NO2.ClH/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1
(5)Std. InChIKey: WQUTWBVBKSYCPR-HNCPQSOCSA-N
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