3-[(2-Nitrophenanthridin-6-yl)amino]propan-1-ol
Basic information
- CAS
38052-94-7- Standard SMILES
O=[N+]([O-])c1ccc2nc(NCCCO)c3ccccc3c2c1- InChIKey
HRKWJOCWEBGVFH-UHFFFAOYSA-N- Molecular formula
- C16H15N3O3
- Average molar mass
- 297.31 g/mol
- Monoisotopic mass
- 297.11134135
Names & identifiers
- Preferred name
- 3-[(2-Nitrophenanthridin-6-yl)amino]propan-1-ol
- IUPAC
- 3-[(2-nitrophenanthridin-6-yl)amino]propan-1-ol
Names & synonyms
38052-94-73-[(2-nitrophenanthridin-6-yl)amino]propan-1-olNSC147354DTXSID40301907NSC-147354
Database identifiers
- CAS
38052-94-7- PubChem CID
- 287380
- DTXSID
DTXSID40301907
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
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Related reactions
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Compound notes
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