Basic information
- CAS
4883-34-5- Standard SMILES
C1CCC(CNC2CCC(NCC3CCCCC3)CC2)CC1.CC(=O)O.CC(=O)O- InChIKey
CEUUNELRXHVARR-UHFFFAOYSA-N- Molecular formula
- C24H46N2O4
- Average molar mass
- 426.6 g/mol
- Monoisotopic mass
- 426.34575795
Names & identifiers
- Preferred name
- Acetic acid--N~1~,N~4~-bis(cyclohexylmethyl)cyclohexane-1,4-diamine (2/1)
- IUPAC
- acetic acid;1-N,4-N-bis(cyclohexylmethyl)cyclohexane-1,4-diamine
Names & synonyms
DTXSID509641234883-34-5Acetic acid--N~1~,N~4~-bis(cyclohexylmethyl)cyclohexane-1,4-diamine (2/1)RefChem:1075858DTXCID401391834N,N'-Bis(cyclohexylmethyl)-1,4-cyclohexanediamine diacetate1,4-Cyclohexanediamine, N,N'-bis(cyclohexylmethyl)-, diacetate
Database identifiers
- CAS
4883-34-5- PubChem CID
- 78595
- DTXSID
DTXSID50964123
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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