Basic information
- CAS
246029-33-4- Standard SMILES
Br.Br.Cc1ccc(-c2cccc(-c3ccc(CNCCN(C)C)cc3)n2)cc1.O- InChIKey
ICZIMMNZCVTESV-UHFFFAOYSA-N- Molecular formula
- C23H31Br2N3O
- Average molar mass
- 525.3 g/mol
- Monoisotopic mass
- 523.08339
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N,N-dimethyl-N'-((4-(6-(4-methylphenyl)-2-pyridinyl)phenyl)methyl)-, dihydrobromide, monohydrate
- IUPAC
- N',N'-dimethyl-N-[[4-[6-(4-methylphenyl)-2-pyridinyl]phenyl]methyl]ethane-1,2-diamine;hydrate;dihydrobromide
Names & synonyms
246029-33-41,2-Ethanediamine, N,N-dimethyl-N'-((4-(6-(4-methylphenyl)-2-pyridinyl)phenyl)methyl)-, dihydrobromide, monohydrateDTXSID20947488N~1~,N~1~-Dimethyl-N~2~-({4-[6-(4-methylphenyl)pyridin-2-yl]phenyl}methyl)ethane-1,2-diamine--hydrogen bromide--water (1/2/1)
Database identifiers
- CAS
246029-33-4- PubChem CID
- 154264
- DTXSID
DTXSID20947488
Properties
Computed structural properties
- Topological polar surface area
- 29.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…