1,4-Butanediamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, dihydrochloride, hydrate
Basic information
- CAS
86663-01-6- Standard SMILES
Cc1cc(-c2ccccc2)nnc1NCCCCN.Cl.Cl- InChIKey
YUNISNGIGFBFJU-UHFFFAOYSA-N- Molecular formula
- C15H22Cl2N4
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 328.1221521
Names & identifiers
- Preferred name
- 1,4-Butanediamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, dihydrochloride, hydrate
- IUPAC
- N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine;dihydrochloride
Names & synonyms
CM 304871,4-Butanediamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, dihydrochloride, hydrate86663-01-63-((4-Aminobutyl)amino)-4-methyl-6-phenylpyridazine dihydrochloride hydrateN-(4-Methyl-6-phenyl-3-pyridazinyl)-1,4-butanediamine dihydrochloride hydrateDTXSID50235744RefChem:220282DTXCID80158235N~1~-(4-Methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
86663-01-6- PubChem CID
- 6410652
- DTXSID
DTXSID50235744
Properties
Computed structural properties
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 240
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Compound notes
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