1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride
Basic information
- CAS
63710-45-2- Standard SMILES
Cl.Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCNCc3ccccc3)c12- InChIKey
PCLDGPKCQNFTHH-UHFFFAOYSA-N- Molecular formula
- C23H24Cl2N4O2
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 458.1276314
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride
- IUPAC
- N-benzyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine;dihydrochloride
Names & synonyms
1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride63710-45-2N-(1-Nitro-9-acridinyl)-N'-(phenylmethyl)-1,3-propanediamine dihydrochlorideSCHEMBL11550596DTXSID30213126N~1~-Benzyl-N~3~-(1-nitroacridin-9-yl)propane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
63710-45-2- PubChem CID
- 149018
- DTXSID
DTXSID30213126
Properties
Computed structural properties
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 519
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Compound notes
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