CAS No.894493-95-9,(1S,2S)-(+)-N,N-Dimethylcyclohexane-1,2-diamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	894493-95-9
Name:	(1S,2S)-(+)-N,N-Dimethylcyclohexane-1,2-diamine
Article Data:	6

Formula:	C₈H₁₈N₂
Molecular Weight:	142.244
Synonyms:	1,2-Cyclohexanediamine,N,N-dimethyl-, (1S,2S)- (9CI);(1S,2S)-N,N-Dimethylcyclohexane-1,2-diamine;
Density:	0.92 g/cm³
Boiling Point:	180.3 °C at 760 mmHg
Flash Point:	62.2 °C
Risk Codes:	22-34
Safety:	26-36/37/39-45
PSA:	29.26000
LogP:	1.51820

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Specification

The (1S,2S)-(+)-N,N-Dimethylcyclohexane-1,2-diamine is an organic compound with the formula C₈H₁₈N₂. The systematic name of this chemical is 1,2-cyclohexanediamine, N1,N1-dimethyl-, (1S,2S)-. With the CAS registry number 894493-95-9, it is also named as (1S,2S)-N,N-Dimethyl-1,2-cyclohexanediamine. In addition, the molecular weight is 142.24.

The other characteristics of (1S,2S)-(+)-N,N-Dimethylcyclohexane-1,2-diamine can be summarized as: (1)ACD/LogP: 0.61; (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: 29.26 Å²; (11)Index of Refraction: 1.49; (12)Molar Refractivity: 44.49 cm³; (13)Molar Volume: 153.8 cm³; (14)Polarizability: 17.64×10^-24 cm³; (15)Surface Tension: 34.4 dyne/cm; (16)Density: 0.92 g/cm³; (17)Flash Point: 62.2 °C; (18)Enthalpy of Vaporization: 41.66 kJ/mol; (19)Boiling Point: 180.3 °C at 760 mmHg; (20)Vapour Pressure: 0.9 mmHg at 25°C.

People can use the following data to convert to the molecule 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