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CAS No.: | 200352-28-9 |
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Name: | CIS (1S,2R)-2-AMINO-CYCLOHEXANOL HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C6H13NO.HCl |
Molecular Weight: | 151.63 |
Synonyms: | Cyclohexanol, 2-amino-, hydrochloride, (1S,2R)- (9CI);Cyclohexanol, 2-amino-, hydrochloride, (1S-cis)-;cis (1S,2R)-2-Amino-cyclohexanol hydrochloride;Cyclohexanol, 2-amino-, hydrochloride (1:1), (1S,2R)-; |
Boiling Point: | 201.1 °C at 760 mmHg |
Flash Point: | 75.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 38-41 |
Safety: | 26-39 |
PSA: | 46.25000 |
LogP: | 1.75090 |
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(1S,2R)-2-Aminocyclohexanol hydrochloride is an organic compound with the formula C6H13NO.HCl, and its systematic name is the same with the product name. With the CAS registry number 200352-28-9, it is also named as Cyclohexanol, 2-amino-, hydrochloride (1:1), (1S,2R)-. In addition, the molecular weight is 649.93.
Physical properties of (1S,2R)-2-Aminocyclohexanol hydrochloride are: (1)ACD/LogP: -0.162; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.25; (4)ACD/LogD (pH 7.4): -2.78; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Flash Point: 75.4 °C; (14)Enthalpy of Vaporization: 50.88 kJ/mol; (15)Boiling Point: 201.1 °C at 760 mmHg; (16)Vapour Pressure: 0.0773 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O[C@H]1CCCC[C@H]1[NH3+]
(2)InChI: InChI=1/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6+;/m1./s1
(3)InChIKey: LKKCSUHCVGCGFA-IBTYICNHBA