1-Naphthalenebutanoicacid, b-amino-, (bS)- (270063-00-8)

The (S)-3-Amino-4-(1-naphthyl)butyric acid hydrochloride, with the CAS registry number 270063-00-8, has the systematic name of (3S)-3-amino-4-naphthalen-1-ylbutanoic acid hydrochloride. It belongs to the following product categories: 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. And the molecular formula of the chemical is C₁₄H₁₅NO₂^.HCl.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.86; (8)ACD/KOC (pH 7.4): 1.85; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 213.9 °C; (14)Enthalpy of Vaporization: 72.25 kJ/mol; (15)Boiling Point: 430 °C at 760 mmHg; (16)Vapour Pressure: 3.69E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O=C(O)C[C@@H](N)Cc2cccc1ccccc12
(2)InChI: InChI=1/C14H15NO2.ClH/c15-12(9-14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11;/h1-7,12H,8-9,15H2,(H,16,17);1H/t12-;/m0./s1
(3)InChIKey: AZXBBARHJITLTI-YDALLXLXBW