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35018-63-4

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Basic Information
CAS No.: 35018-63-4
Name: trans-(-)-1,2-Cyclohexanediamine dihydrochloride
Article Data: 7
Molecular Structure:
Molecular Structure of 35018-63-4 (trans-(-)-1,2-Cyclohexanediamine dihydrochloride)
Formula: C6H16Cl2N2
Molecular Weight: 187.112
Synonyms: (1R,2R)-Cyclohexane-1,2-diamine dihydrochloride;
Boiling Point: 193.6 °C at 760 mmHg
Flash Point: 75 °C
PSA: 52.04000
LogP: 2.41760
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    trans-(-)-1,2-Cyclohexanediamine dihydrochlorideAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:pharmaceutical intermediate Transportation:by air, by sea, by express

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Specification

The (1R,2R)-1,2-Cyclohexanediamine dihydrochloride has CAS registry number 35018-63-4. The molecular formula of this chemical is C6H16Cl2N2 and its molecular weight is 187.1106. What's more, its IUPAC name is (1R,2R)-Cyclohexane-1,2-diamine dihydrochloride.

Physical properties about (1R,2R)-1,2-Cyclohexanediamine dihydrochloride are: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.87; (4)ACD/LogD (pH 7.4): -3.06; (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: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Flash Point: 75 °C; (14)Enthalpy of Vaporization: 42.98 kJ/mol; (15)Boiling Point: 193.6 °C at 760 mmHg; (16)Vapour Pressure: 0.46 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.N[C@@H]1CCCC[C@H]1N
(2) InChI: InChI=1/C6H14N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h5-6H,1-4,7-8H2;2*1H/t5-,6-;;/m1../s1
(3) InChIKey: HEKOZXSZLOBKGM-BNTLRKBRBD