Basic information
- CAS
4900-81-6- Standard SMILES
C1CCC(CCNC2CCC(NCCC3CCCCC3)CC2)CC1.CC(=O)O.CC(=O)O- InChIKey
KWDNTYRMVNFPGJ-UHFFFAOYSA-N- Molecular formula
- C26H50N2O4
- Average molar mass
- 454.7 g/mol
- Monoisotopic mass
- 454.37705808
Names & identifiers
- Preferred name
- 1,4-Cyclohexanediamine, N,N'-bis(cyclohexylethyl)-, diacetate
- IUPAC
- acetic acid;1-N,4-N-bis(2-cyclohexylethyl)cyclohexane-1,4-diamine
Names & synonyms
4900-81-61,4-Cyclohexanediamine, N,N'-bis(cyclohexylethyl)-, diacetateRefChem:1053234N,N'-Bis(cyclohexylethyl)-1,4-cyclohexanediamine diacetateDTXSID20964150Acetic acid--N~1~,N~4~-bis(2-cyclohexylethyl)cyclohexane-1,4-diamine (2/1)
Database identifiers
- CAS
4900-81-6- PubChem CID
- 78615
- DTXSID
DTXSID20964150
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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