Basic information
- CAS
640729-59-5- Standard SMILES
CN(C)CCN(Cc1cc([N+](=O)[O-])ccc1O)Cc1cc([N+](=O)[O-])ccc1O- InChIKey
VMDWXOMCKPMZFZ-UHFFFAOYSA-N- Molecular formula
- C18H22N4O6
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.15393443
Names & identifiers
- Preferred name
- 2,2'-[{[2-(Dimethylamino)ethyl]azanediyl}bis(methylene)]bis(4-nitrophenol)
- IUPAC
- 2-[[2-(dimethylamino)ethyl-[(2-hydroxy-5-nitrophenyl)methyl]amino]methyl]-4-nitrophenol
Names & synonyms
640729-59-52,2'-[{[2-(Dimethylamino)ethyl]azanediyl}bis(methylene)]bis(4-nitrophenol)DTXSID00794912
Database identifiers
- CAS
640729-59-5- PubChem CID
- 71372012
- DTXSID
DTXSID00794912- Nikkaji
- J1.988.639E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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