Basic information
- CAS
1241-27-6- Standard SMILES
CCCCCCCNCC1CCC(CNCCCCCCC)CC1.Cl.Cl- InChIKey
YLDUYUMJGFBOMT-UHFFFAOYSA-N- Molecular formula
- C22H48Cl2N2
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 410.3194549
Names & identifiers
- Preferred name
- N,N'-(Cyclohexane-1,4-diylbis(methylene))di(heptan-1-amine)--hydrogen chloride (1/2)
- IUPAC
- N-[[4-[(heptylamino)methyl]cyclohexyl]methyl]heptan-1-amine;dihydrochloride
Names & synonyms
DTXSID00924732N,N'-(Cyclohexane-1,4-diylbis(methylene))di(heptan-1-amine)--hydrogen chloride (1/2)N,N'-[Cyclohexane-1,4-diylbis(methylene)]di(heptan-1-amine)--hydrogen chloride (1/2)RefChem:1090234DTXCID1013535681241-27-61,4-Cyclohexanebis(methylamine), N,N'-diheptyl-, dihydrochloride, (E)-trans-Diheptyl-1,4-cyclohexanebis(methylamine) dihydrochloridetrans-N,N'-(1,4-Cyclohexylenedimethylene)diheptylamine dihydrochlorideHeptylamine, N,N'-(1,4-cyclohexylenedimethylene)di-, dihydrochloride, (E)-
Database identifiers
- CAS
1241-27-6- PubChem CID
- 71064
- DTXSID
DTXSID00924732
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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