1,4-Bicyclo(2.2.2)octanebis(methylamine), N,N'-bis(1-indanyl)-, dihydrochloride
Basic information
- CAS
5085-35-8- Standard SMILES
[Cl-].[Cl-].c1ccc2c(c1)CCC2[NH2+]CC12CCC(C[NH2+]C3CCc4ccccc43)(CC1)CC2- InChIKey
VTMUHKQETIHHIO-UHFFFAOYSA-N- Molecular formula
- C28H38Cl2N2
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 472.2412046
Names & identifiers
- Preferred name
- 1,4-Bicyclo(2.2.2)octanebis(methylamine), N,N'-bis(1-indanyl)-, dihydrochloride
- IUPAC
- 2,3-dihydro-1H-inden-1-yl-[[4-[(2,3-dihydro-1H-inden-1-ylazaniumyl)methyl]-1-bicyclo[2.2.2]octanyl]methyl]azanium dichloride
Names & synonyms
N,N'-Bis(1-indanyl)-1,4-bicyclo(2.2.2)octanebis(methylamine) dihydrochloride1-Indanamine, N,N'-(1,4-bicyclo(2.2.2)octylenedimethylene)di-, dihydrochlorideN,N'-(1,4-Bicyclo(2.2.2)octylenedimethylene)di(1-indanamine) dihydrochloride1,4-BICYCLO(2.2.2)OCTANEBIS(METHYLAMINE), N,N'-BIS(1-INDANYL)-, DIHYDROCHLORIDE5085-35-8RefChem:220139
Database identifiers
- CAS
5085-35-8- PubChem CID
- 21160
Properties
Computed structural properties
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 523
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Compound notes
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