Basic information
- CAS
2077-75-0- Standard SMILES
C1=C(CNCC2CCCCC2)CCC(CNCC2CCCCC2)C1.CC(=O)O.CC(=O)O- InChIKey
XAZLLTCLHJFEHD-UHFFFAOYSA-N- Molecular formula
- C26H48N2O4
- Average molar mass
- 452.7 g/mol
- Monoisotopic mass
- 452.36140802
Names & identifiers
- Preferred name
- 1,4-Cyclohexenebis(methylamine), N,N'-bis(cyclohexylmethyl)-, diacetate
- IUPAC
- acetic acid;1-cyclohexyl-N-[[4-[(cyclohexylmethylamino)methyl]cyclohex-3-en-1-yl]methyl]methanamine
Names & synonyms
N,N'-(1,4-Cyclohexenylene)bis(cyclohexanemethylamine) diacetateN,N'-Bis(cyclohexylmethyl)-1,4-cyclohexenebis(methylamine) diacetate2077-75-0Cyclohexanemethylamine, N,N'-(1,4-cyclohexenylene)bis-, diacetate1,4-Cyclohexenebis(methylamine), N,N'-bis(cyclohexylmethyl)-, diacetateRefChem:220365DTXSID60942977Acetic acid--N,N'-[cyclohex-1-ene-1,4-diylbis(methylene)]bis(1-cyclohexylmethanamine) (2/1)
Database identifiers
- CAS
2077-75-0- PubChem CID
- 102746
- DTXSID
DTXSID60942977
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
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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