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| CAS No.: | 260392-65-2 |
|---|---|
| Name: | trans-2-Methylamino-cyclohexanol hydrochloride |
| Molecular Structure: | |
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| Formula: | C7H16ClNO |
| Molecular Weight: | 165.663 |
| Synonyms: | TRANS-2-METHYLAMINO-CYCLOHEXANOL HYDROCHLORIDE;(1S,2S)-2-(MethylaMino)cyclohexanol hydrochloride;(1R,2R)-2-(Methylamino)Cyclohexanol Hydrochloride (1:1) |
| Boiling Point: | 251.5 °C at 760 mmHg |
| Flash Point: | 105.9 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-37 |
| PSA: | 32.26000 |
| LogP: | 1.70220 |
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Specification
The trans-2-Methylamino-cyclohexanol hydrochloride, with the CAS registry number of 260392-65-2, is also known as Cyclohexanol, 2-(methylamino)-, (1R,2R)-, hydrochloride (1:1). Its molecular formula is C7H16ClNO and molecular weight is 165.66. What's more, its systematic name is (1R,2R)-2-(Methylamino)cyclohexanol hydrochloride.
Physical properties about the trans-2-Methylamino-cyclohexanol hydrochloride are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 32.26 Å2; (11)Flash Point: 105.9 °C; (12)Enthalpy of Vaporization: 56.79 kJ/mol; (13)Boiling Point: 251.5 °C at 760 mmHg; (14)Vapour Pressure: 0.0032 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.CN[C@@H]1CCCC[C@H]1O
(2) InChI: InChI=1/C7H15NO.ClH/c1-8-6-4-2-3-5-7(6)9;/h6-9H,2-5H2,1H3;1H/t6-,7-;/m1./s1
(3) InChIKey: FYCHSSMOBVREJM-ZJLYAJKPBJ