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Name |
cis-1,4-Cyclohexanediamine |
EINECS | 221-483-6 |
CAS No. | 15827-56-2 | Density | 0.939 g/cm3 |
PSA | 52.04000 | LogP | 1.61560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H14N2 | Boiling Point | 199.401 °C at 760 mmHg |
Molecular Weight | 114.191 | Flash Point | 80 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39-45 | Risk Codes | 22-34 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
cis-1,4-Diaminocyclohexane; |
Article Data | 6 |
The 1,4-Cyclohexanediamine,cis-, with the CAS registry number 15827-56-2, is also known as cis-Cyclohexane-1,4-diamine. It belongs to classification codes of TSCA Flag E [Subject to the Section 5(e) Consent Order of TSCA]; TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA]. This chemical's molecular formula is C6H14N2 and molecular weight is 114.19. What's more, its systematic name is called cis-1,4-Cyclohexanediamine.
Physical properties about 1,4-Cyclohexanediamine,cis- are: (1)ACD/LogP: -0.256; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -4.00; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.04 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 34.776 cm3; (15)Molar Volume: 121.597 cm3; (16)Polarizability: 13.786×10-24cm3; (17)Surface Tension: 37.037 dyne/cm; (18)Density: 0.939 g/cm3; (19)Flash Point: 80 °C; (20)Enthalpy of Vaporization: 43.561 kJ/mol; (21)Boiling Point: 199.401 °C at 760 mmHg; (22)Vapour Pressure: 0.342 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N[C@H]1CC[C@@H](N)CC1
(2) InChI: InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2/t5-,6+
(3) InChIKey: VKIRRGRTJUUZHS-OLQVQODUSA-N