1-Butanol, 2-((1-nitro-9-acridinyl)amino)-, monohydrochloride
Basic information
- CAS
80704-88-7- Standard SMILES
CCC(CO)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl- InChIKey
NQQCIGDNXGENED-UHFFFAOYSA-N- Molecular formula
- C17H18ClN3O3
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 347.1036691
Names & identifiers
- Preferred name
- 1-Butanol, 2-((1-nitro-9-acridinyl)amino)-, monohydrochloride
- IUPAC
- 2-[(1-nitroacridin-9-yl)amino]butan-1-ol;hydrochloride
- English name
- 1-Butanol, 2-((1-nitro-9-acridinyl)amino)-, monohydrochloride
- Molecular weight
- 0
Names & synonyms
80704-88-71-Butanol, 2-((1-nitro-9-acridinyl)amino)-, monohydrochlorideDTXSID7010014322-[(1-Nitroacridin-9(10H)-ylidene)amino]butan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
80704-88-7- PubChem CID
- 149840
- DTXSID
DTXSID701001432
Properties
Computed structural properties
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
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Related reactions
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Compound notes
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