Synonyms: | 1,2-Cyclohexanediamine,N,N-dimethyl-, (1S,2S)- (9CI);(1S,2S)-N,N-Dimethylcyclohexane-1,2-diamine; |
Specification: |
The cas register number of (1S,2S)-(+)-N,N-Dimethylcyclohexane-1,2-diamine is 894493-95-9. It also can be called as (1S,2S)-N,N-Dimethyl-1,2-cyclohexanediamine and the Systematic name about this chemical is 1,2-cyclohexanediamine, N~1~,N~1~-dimethyl-, (1S,2S)-.
Physical properties about (1S,2S)-(+)-N,N-Dimethylcyclohexane-1,2-diamine are: (1)ACD/LogP: 0.61; (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: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 29.26Å2; (10)Index of Refraction: 1.49; (11)Molar Refractivity: 44.49 cm3; (12)Molar Volume: 153.8 cm3; (13)Polarizability: 17.64x10-24cm3; (14)Surface Tension: 34.4 dyne/cm; (15)Enthalpy of Vaporization: 41.66 kJ/mol; (16)Vapour Pressure: 0.9 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)[C@H]1CCCC[C@@H]1N
(2)InChI: InChI=1/C8H18N2/c1-10(2)8-6-4-3-5-7(8)9/h7-8H,3-6,9H2,1-2H3/t7-,8-/m0/s1
(3)InChIKey: FRDZGSBXKJXGNR-YUMQZZPRBS
(4)Std. InChI: InChI=1S/C8H18N2/c1-10(2)8-6-4-3-5-7(8)9/h7-8H,3-6,9H2,1-2H3/t7-,8-/m0/s1
(5)Std. InChIKey: FRDZGSBXKJXGNR-YUMQZZPRSA-N
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