4-[(4-Aminocyclohexyl)methyl]cyclohexan-1-amine;azepan-2-one;hexane-1,6-diamine;hexanedioic acid
Basic information
- CAS
25053-13-8- Standard SMILES
NC1CCC(CC2CCC(N)CC2)CC1.NCCCCCCN.O=C(O)CCCCC(=O)O.O=C1CCCCCN1- InChIKey
LYRSKWHPYTWGPJ-UHFFFAOYSA-N- Molecular formula
- C31H63N5O5
- Average molar mass
- 585.9 g/mol
- Monoisotopic mass
- 585.48292013
Names & identifiers
- Preferred name
- 4-[(4-Aminocyclohexyl)methyl]cyclohexan-1-amine;azepan-2-one;hexane-1,6-diamine;hexanedioic acid
- IUPAC
- 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;azepan-2-one;hexane-1,6-diamine;hexanedioic acid
Names & synonyms
SCHEMBL12491710LYRSKWHPYTWGPJ-UHFFFAOYSA-N
Database identifiers
- CAS
25053-13-8- PubChem CID
- 168260
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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