(S)-2-(4-Nitrophenylamino)butan-1-ol
Basic information
- CAS
572923-31-0- Standard SMILES
CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1- InChIKey
HWFULSRWSFXIFQ-QMMMGPOBSA-N- Molecular formula
- C10H14N2O3
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.10044231
Names & identifiers
- Preferred name
- (S)-2-(4-Nitrophenylamino)butan-1-ol
- IUPAC
- (2S)-2-(4-nitroanilino)butan-1-ol
- English name
- (S)-2-(4-Nitrophenylamino)butan-1-ol
- Molecular formula
- C10H14N2O3
- Molecular weight
- 210.23
Names & synonyms
572923-31-0(S)-2-(4-Nitrophenylamino)butan-1-ol(2S)-2-(4-nitroanilino)butan-1-olDTXSID504604931-Butanol, 2-[(4-nitrophenyl)amino]-, (2S)-
Database identifiers
- CAS
572923-31-0- PubChem CID
- 11264282
- DTXSID
DTXSID50460493- Nikkaji
- J1.926.620F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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