-
Name
4,4'-Methylenebis[N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]cyclohexanamine]
- EINECS
- CAS No. 70615-16-6
- Density 1.02 g/cm3
- Solubility
- Melting Point
- Formula C39H72N4
- Boiling Point 697.4 °C at 760 mmHg
- Molecular Weight 597.02
- Flash Point 450.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 4,4-Methylenebis[N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]cyclohexanamine]
- PSA 76.10000
- LogP 10.78850
Cyclohexanamine, 4,4'-methylenebis[N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]- 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
Related Products
- Cyclohexanamine, 4,4'-methylenebis[N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-
- Cyclohexanamine,1-methyl-
- Cyclohexanamine,1-phenyl-, hydrochloride (1:1)
- Cyclohexanamine,3-methyl-
- Cyclohexanamine,4-(1,1-dimethylethyl)-, cis-
- Cyclohexanamine,4,4-dimethyl-
- Cyclohexanamine,4,4-dimethyl-, hydrochloride (1:1)
- Cyclohexanamine,4,4'-methylenebis[N-(2-methylpropylidene)-
- Cyclohexanamine,4-phenyl-
- Cyclohexanamine,N-(1-methylethyl)-4,4-diphenyl-
- 7061-54-3
- 70616-72-7
- 70618-70-1
- 70619-50-0
- 70621-82-8
- 70622-74-1
- 70622-80-9
- 70623-44-8
- 70624-18-9
- 70627-17-7
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