-
Name
[1S,2R]-trans-2-Aminocyclohexanol hydrochloride
- EINECS
- CAS No. 13374-31-7
- Article Data7
- CAS DataBase
- Density
- Solubility
- Melting Point 176-177 °C
- Formula C6H14ClNO
- Boiling Point 241.2 °C at 760 mmHg
- Molecular Weight 151.636
- Flash Point 99.7 °C
- Transport Information
- Appearance
- Safety 26
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols Xi
- Synonyms Cyclohexanol,2-amino-, hydrochloride, (1R,2R)- (8CI,9CI);Cyclohexanol, 2-amino-,hydrochloride, (1R-trans)-;(1R,2R)-2-Aminocyclohexanol hydrochloride;cyclohexanol, 2-amino-, (1R,2R)-, hydrochloride (1:1);
- PSA 46.25000
- LogP 0.94890
(1R,2R)-trans-2-Aminocyclohexanol hydrochloride Specification
The Cyclohexanol, 2-amino-,hydrochloride (1:1), (1R,2R)-, with CAS registry number 13374-31-7, belongs to the following product categories: (1)Amino Alcohols; (2)Chiral Building Blocks; (3)Organic Building Blocks. It has the systematic name of (1R,2R)-2-aminocyclohexanol hydrochloride. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C6H14ClNO.
Physical properties of Cyclohexanol, 2-amino-,hydrochloride (1:1), (1R,2R)-: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 46.25 Å2; (10)Flash Point: 99.7 °C; (11)Enthalpy of Vaporization: 55.57 kJ/mol; (12)Boiling Point: 241.2 °C at 760 mmHg; (13)Vapour Pressure: 0.00628 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N[C@@H]1CCCC[C@H]1O
(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-KGZKBUQUBI
(4)Std. InChI: InChI=1S/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6-;/m1./s1
(5)Std. InChIKey: LKKCSUHCVGCGFA-KGZKBUQUSA-N
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