Basic information
- CAS
2077-76-1- Standard SMILES
C1=C(CNC2CCc3ccccc32)CCC(CNC2CCc3ccccc32)C1.Cl.Cl- InChIKey
GUTINEQUFDFTSC-UHFFFAOYSA-N- Molecular formula
- C26H34Cl2N2
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 444.2099045
Names & identifiers
- Preferred name
- 1,4-Cyclohexenebis(methylamine), N,N'-bis(1-indanyl)-, dihydrochloride
- IUPAC
- N-[[4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohex-3-en-1-yl]methyl]-2,3-dihydro-1H-inden-1-amine;dihydrochloride
Names & synonyms
N,N'-Bis(1-indanyl)-1,4-cyclohexenebis(methylamine) dihydrochloride2077-76-11,4-Cyclohexenebis(methylamine), N,N'-bis(1-indanyl)-, dihydrochloride1-Indanamine, N,N'-(1,4-cyclohexenylenedimethylene)di-, dihydrochlorideN,N'-(1,4-Cyclohexenylenedimethylene)di(1-indanamine) dihydrochlorideRefChem:220363DTXSID20942978N,N'-[Cyclohex-1-ene-1,4-diylbis(methylene)]di(2,3-dihydro-1H-inden-1-amine)--hydrogen chloride (1/2)
Database identifiers
- CAS
2077-76-1- PubChem CID
- 102748
- DTXSID
DTXSID20942978
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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