1,4-Cyclohexanebis(methylamine), N,N'-bis(2-fluorobenzyl)-, dihydrochloride
Basic information
- CAS
27501-42-4- Standard SMILES
Cl.Cl.Fc1ccccc1CNCC1CCC(CNCc2ccccc2F)CC1- InChIKey
AFCLFDKFCDBXOH-UHFFFAOYSA-N- Molecular formula
- C22H30Cl2F2N2
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 430.1754107
Names & identifiers
- Preferred name
- 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-fluorobenzyl)-, dihydrochloride
- IUPAC
- N-[(2-fluorophenyl)methyl]-1-[4-[[(2-fluorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride
Names & synonyms
1,4-Cyclohexanebis(methylamine), N,N'-bis(2-fluorobenzyl)-, dihydrochlorideN,N'-Bis(2-fluorobenzyl)-1,4-cyclohexanebis(methylamine) dihydrochloride27501-42-4DTXSID60181920Benzylamine, N,N'-(1,4-cyclohexylenedimethylene)bis(2-fluoro-, dihydrochlorideN,N'-(1,4-Cyclohexylenedimethylene)bis(2-fluorobenzylamine) dihydrochlorideRefChem:220314DTXCID00104411N,N'-[Cyclohexane-1,4-diylbis(methylene)]bis[1-(2-fluorophenyl)methanamine]--hydrogen chloride (1/2)
Database identifiers
- CAS
27501-42-4- PubChem CID
- 119650
- DTXSID
DTXSID60181920
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 348
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Related reactions
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Compound notes
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