The (R)-3-Amino-4-(4-methylphenyl)butyric acid hydrochloride with the CAS number 177839-85-9 is also called (R)-3-amino-4-(4-methyl-phenyl)-butyric acid-HCl. Its molecular formula is C11H15NO2.HCl. This chemical belongs to the following product categories: (1)3-Amino-4-phenylbutanoic Acid Analogs; (2)B-Amino.
The properties of the chemical are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 63.32Å2; (7)Flash Point: 180.6 °C; (8)Enthalpy of Vaporization: 65.66 kJ/mol; (9)Boiling Point: 374.9 °C at 760 mmHg; (10)Vapour Pressure: 2.75×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N[C@H](Cc1ccc(C)cc1)CC(O)=O
(2)InChI: InChI=1/C11H15NO2.ClH/c1-8-2-4-9(5-3-8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1
(3)InChIKey: LUJTZKGPNYDSGW-HNCPQSOCBM
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