2,2a(2)-[[2-[(1-Nitro-9-acridinyl)amino]ethyl]imino]bis-ethanol
Basic information
- CAS
77162-70-0- Standard SMILES
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCN(CCO)CCO)c12- InChIKey
SEGKYGNRPDCERU-UHFFFAOYSA-N- Molecular formula
- C19H22N4O4
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.1641052
Names & identifiers
- Preferred name
- 2,2a(2)-[[2-[(1-Nitro-9-acridinyl)amino]ethyl]imino]bis-ethanol
- IUPAC
- 2-[2-hydroxyethyl-[2-[(1-nitroacridin-9-yl)amino]ethyl]amino]ethanol
Names & synonyms
NCI60_015695Neuro_000340CHEMBL2009070DTXSID3013506772,2a(2)-[[2-[(1-Nitro-9-acridinyl)amino]ethyl]imino]bis-ethanol
Database identifiers
- CAS
77162-70-0- PubChem CID
- 53593
- DTXSID
DTXSID301350677- ChEMBL
CHEMBL2009070- Nikkaji
- J283.549E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 469
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Related reactions
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Compound notes
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