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70615-16-6

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Basic Information
CAS No.: 70615-16-6
Name: 4,4'-Methylenebis[N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]cyclohexanamine]
Molecular Structure:
Molecular Structure of 70615-16-6 (4,4'-Methylenebis[N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]cyclohexanamine])
Formula: C39H72N4
Molecular Weight: 597.02
Synonyms: 4,4-Methylenebis[N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]cyclohexanamine]
Density: 1.02 g/cm3
Boiling Point: 697.4 °C at 760 mmHg
Flash Point: 450.7 °C
PSA: 76.10000
LogP: 10.78850
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  • Cyclohexanamine,4,4'-methylenebis[N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-

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    70615-16-6

    Cyclohexanamine,4,4'-methylenebis[N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-

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Specification

This chemical is called Cyclohexanamine, 4,4'-methylenebis[N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-, and its CAS registry number is 70615-16-6. With the molecular formula of C39H72N4, its molecular weight is 597.02.

Other characteristics of the Cyclohexanamine, 4,4'-methylenebis[N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]- can be summarised as followings: (1)ACD/LogP: 9.26; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 5.1; (6)ACD/BCF (pH 7.4): 5.18; (7)ACD/KOC (pH 5.5): 2.06; (8)ACD/KOC (pH 7.4): 2.1; (9)#H bond donors: 6; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 12.96 Å2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 184.67 cm3; (14)Molar Volume: 580.4 cm3; (15)Polarizability: 73.21×10-24cm3; (16)Surface Tension: 45.4 dyne/cm; (17)Density: 1.02 g/cm3; (18)Flash Point: 450.7 °C; (19)Enthalpy of Vaporization: 102.12 kJ/mol; (20)Boiling Point: 697.4 °C at 760 mmHg; (21)Vapour Pressure: 2.7E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N(C2CCC(CC1CCC(N)CC1)CC2)C3CCC(CC3)CC6CCC(NC5CCC(CC4CCC(N)CC4)CC5)CC6
2.InChI: InChI=1/C39H72N4/c40-34-13-1-28(2-14-34)25-30-5-17-36(18-6-30)42-38-21-9-32(10-22-38)27-33-11-23-39(24-12-33)43-37-19-7-31(8-20-37)26-29-3-15-35(41)16-4-29/h28-39,42-43H,1-27,40-41H2
3.InChIKey: ZBYQZOHIYYGOGT-UHFFFAOYAO