Basic information
- CAS
69868-18-4- Standard SMILES
NC1CCC(CC2CCC(NC3CCC(CC4CCC(N)CC4)CC3)CC2)CC1- InChIKey
FDMZOCLEIWRBIQ-UHFFFAOYSA-N- Molecular formula
- C26H49N3
- Average molar mass
- 403.7 g/mol
- Monoisotopic mass
- 403.39264858
Names & identifiers
- Preferred name
- Cyclohexanamine, 4-[(4-aminocyclohexyl)methyl]-N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-
- IUPAC
- 4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexan-1-amine
- English name
- 4-[(4-Aminocyclohexyl)methyl]-N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]cyclohexanamine
- Molecular formula
- C26H49N3
- Molecular weight
- 403.69
Names & synonyms
Cyclohexanamine, 4-[(4-aminocyclohexyl)methyl]-N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4,4'-Bis((4-aminocyclohexyl)methyl)dicyclohexylamineDTXSID5072010Cyclohexanamine, 4-((4-aminocyclohexyl)methyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-RefChem:580372DTXCID804658769868-18-44-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexan-1-amineSCHEMBL40608bis(4-((4-aminocyclohexyl)methyl)cyclohexyl)amineFDMZOCLEIWRBIQ-UHFFFAOYSA-N4,4'-[Azanediylbis(cyclohexane-4,1-diylmethylene)]di(cyclohexan-1-amine)
Show more names
4-[(4-Aminocyclohexyl)methyl]-N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]cyclohexanamine
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 531.9 · 531.9±15.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 11.18 · 11.18±0.40(Predicted)
- EPA Substance Registry System
- 4 · Cyclohexanamine, 4-[(4-aminocyclohexyl)methyl]-N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]- (69868-18-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanamine, 4-[(4-aminocyclohexyl)methyl]-N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-: ACTIVE
Suppliers1 total
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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