1,2-Benzenediamine, 4-fluoro-5-(4-methyl-1-piperazinyl)-, hydrochloride (1:4)
Basic information
- CAS
1220039-97-3- Standard SMILES
C[NH+]1CC[NH+](c2cc([NH3+])c([NH3+])cc2F)CC1.[Cl-].[Cl-].[Cl-].[Cl-]- InChIKey
QSFFHBCBYVZXFC-UHFFFAOYSA-N- Molecular formula
- C11H21Cl4FN4
- Average molar mass
- 370.1 g/mol
- Monoisotopic mass
- 368.050436
Names & identifiers
- Preferred name
- 1,2-Benzenediamine, 4-fluoro-5-(4-methyl-1-piperazinyl)-, hydrochloride (1:4)
- IUPAC
- [2-azaniumyl-4-fluoro-5-(4-methylpiperazine-1,4-diium-1-yl)phenyl]azanium tetrachloride
- English name
- 4-Fluoro-5-(4-methyl-piperazin-1-yl)-benzene-1,2-diamine tetrahydrochloride
- Molecular formula
- C11H21Cl4FN4
- Molecular weight
- 370.1216432
Names & synonyms
DTXSID2013611421,2-Benzenediamine, 4-fluoro-5-(4-methyl-1-piperazinyl)-, hydrochloride (1:4)4-Fluoro-5-(4-methyl-piperazin-1-yl)-benzene-1,2-diamine tetrahydrochloride
Database identifiers
- CAS
1220039-97-3- PubChem CID
- 177842004
- DTXSID
DTXSID201361142
Properties
Computed structural properties
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 230
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Compound notes
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