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| CAS No.: | 1121-22-8 |
|---|---|
| Name: | (+/-)-trans-1,2-Diaminocyclohexane |
| Article Data: | 21 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C6H14N2 |
| Molecular Weight: | 114.191 |
| Synonyms: | 1,2-Cyclohexanediamine,trans- (8CI);(1R,2R)-rel-1,2-Cyclohexanediamine;1,2-trans-Diaminocyclohexane;trans-1,2-Cyclohexanediamine;trans-1,2-Diaminocyclohexane;trans-N,N'-1,2-Cyclohexanediamine;trans-dl-1,2-Diaminocyclohexane; |
| EINECS: | -0 |
| Density: | 0.939 g/cm3 |
| Melting Point: | 14-15 °C(lit.) |
| Boiling Point: | 193.643 °C at 760 mmHg |
| Flash Point: | 75 °C |
| Solubility: | soluble in water |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2735 8/PG 2 |
| PSA: | 52.04000 |
| LogP: | 1.61560 |
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Specification
This chemical is called trans-1,2-Cyclohexanediamine, and its systematic name is (1R,2R)-cyclohexane-1,2-diamine. With the molecular formula of C6H14N2, its molecular weight is 114.19. The CAS registry number of this chemical is 1121-22-8. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the trans-1,2-Cyclohexanediamine can be summarised as followings: (1)ACD/LogP: 0.17; (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: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.04 Å2; (11)Index of Refraction: 1.484; (12)Molar Refractivity: 34.776 cm3; (13)Molar Volume: 121.597 cm3; (14)Polarizability: 13.786×10-24cm3; (15)Surface Tension: 37.037 dyne/cm; (16)Density: 0.939 g/cm3; (17)Flash Point: 75 °C; (18)Enthalpy of Vaporization: 42.984 kJ/mol; (19)Boiling Point: 193.643 °C at 760 mmHg; (20)Vapour Pressure: 0.46 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: C1CC[C@H]([C@@H](C1)N)N
2.InChI: InChI=1/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1
3.InChIKey: SSJXIUAHEKJCMH-PHDIDXHHBU