Basic information
- CAS
75830-38-5- Standard SMILES
O=[N+]([O-])c1ccc(O)c(CNCc2ccccc2)c1- InChIKey
JHEKRAVDVLZZNI-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- 2-[(Benzylamino)methyl]-4-nitrophenol
- IUPAC
- 2-[(benzylamino)methyl]-4-nitrophenol
Names & synonyms
MLS00270346875830-38-52-[(benzylamino)methyl]-4-nitrophenolNSC98791NCIOpen2_006658CHEMBL1881761DTXSID70997216NSC-98791SMR001570186
Database identifiers
- CAS
75830-38-5- PubChem CID
- 264015
- DTXSID
DTXSID70997216- ChEMBL
CHEMBL1881761
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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