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CAS No.: | 99065-30-2 |
---|---|
Name: | D-Cyclohexylalanine hydrochloride |
Article Data: | 3 |
Molecular Structure: | |
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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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