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CAS No.: | 68737-65-5 |
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Name: | (1R,2R)-N,N'-Dimethyl-1,2-cyclohexanediamine |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C8H18N2 |
Molecular Weight: | 142.244 |
Synonyms: | 1,2-Cyclohexanediamine,N,N'-dimethyl-, (1R,2R)- (9CI);(1R,2R)-N,N'-Dimethylcyclohexane-1,2-diamine;(R,R)-1,2-Bis(methylamino)cyclohexane;(R,R)-N,N'-Dimethyl-1,2-diaminocyclohexane;N,N'-Dimethyl-1R,2R-diaminocyclohexane; |
Density: | 0.895 g/cm3 |
Melting Point: | 39-44 °C |
Boiling Point: | 186.8 °C at 760 mmHg |
Flash Point: | 60.2 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | C |
Risk Codes: | 34-22 |
Safety: | 45-36/37/39-25-26 |
Transport Information: | UN 2735 |
PSA: | 24.06000 |
LogP: | 1.51820 |
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The IUPAC name of this chemical is (1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine. With the CAS registry number 68737-65-5, it is also named as 1,2-Cyclohexanediamine, N1,N2-dimethyl-, (1R,2R)-. The product's categories are Amines and Anilines; Chiral; Amines (Chiral); Analytical Chemistry; Chiral Building Blocks; Enantiomer Excess & Absolute Configuration Determination; Synthetic Organic Chemistry. It is white to light yellow crystal powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place which must be away from oxidant.
The other characteristics of (1R,2R)-(-)-N,N'-Dimethylcyclohexane-1,2-diamine can be summarized as: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.6; (4)ACD/LogD (pH 7.4): -2.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 44.29 cm3; (15)Molar Volume: 159 cm3; (16)Polarizability: 17.56×10-24 cm3; (17)Surface Tension: 30.3 dyne/cm; (18)Density: 0.89 g/cm3; (19)Flash Point: 60.2 °C; (20)Enthalpy of Vaporization: 42.3 kJ/mol; (21)Boiling Point: 186.8 °C at 760 mmHg; (22)Vapour Pressure: 0.65 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and may cause burns. What's more, people should avoid contact with eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:N([C@@H]1CCCC[C@H]1NC)C
2. InChI:InChI=1/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
3. InChIKey:JRHPOFJADXHYBR-HTQZYQBOBF