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99065-30-2

Basic Information
CAS No.: 99065-30-2
Name: D-Cyclohexylalanine hydrochloride
Article Data: 3
Molecular Structure:
Molecular Structure of 99065-30-2 (D-Cyclohexylalanine hydrochloride)
Formula: C9H17NO2.HCl
Molecular Weight: 207.7
Synonyms: Cyclohexanealanine,hydrochloride (6CI);Cyclohexanepropanoic acid, a-amino-, hydrochloride (9CI);
Melting Point: 259℃ (DEC.)
Boiling Point: 307.1 °C at 760 mmHg
Flash Point: 139.6 °C
PSA: 63.32000
LogP: 2.87100
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Specification

The CAS register number of D-Cyclohexylalanine hydrochloride is 99065-30-2. It also can be called as Cyclohexanepropanoicacid, a-amino-, hydrochloride (1:1) and the systematic name about this chemical is D-Cyclohexylalanine hydrochloride. The molecular formula about this chemical is C9H17NO2.HCl and the molecular weight is 207.6977.

Physical properties about D-Cyclohexylalanine hydrochloride are: (1)ACD/LogP: 1.91; (2)ACD/LogD (pH 5.5): -0.59; (3)ACD/LogD (pH 7.4): -0.59; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54Å2; (12)Flash Point: 139.6 °C; (13)Enthalpy of Vaporization: 60.24 kJ/mol; (14)Boiling Point: 307.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000167 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C(N)CC1CCCCC1
(2)InChI: InChI=1/C9H17NO2.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h7-8H,1-6,10H2,(H,11,12);1H
(3)InChIKey: QNGGSVANUAULGK-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H17NO2.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h7-8H,1-6,10H2,(H,11,12);1H
(5)Std. InChIKey: QNGGSVANUAULGK-UHFFFAOYSA-N