N-cyclohexyl-2-methoxy-5-nitroaniline
Basic information
- CAS
5537-67-7- Standard SMILES
COc1ccc([N+](=O)[O-])cc1NC1CCCCC1- InChIKey
JMQJUZRDUVUYKB-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- N-cyclohexyl-2-methoxy-5-nitroaniline
- IUPAC
- N-cyclohexyl-2-methoxy-5-nitroaniline
Names & synonyms
N-cyclohexyl-2-methoxy-5-nitroanilineCambridge id 5537677Oprea1_560014Oprea1_671866CHEMBL1616057SCHEMBL21663545DTXSID50970709STK145506AKOS003260067cyclohexyl(2-methoxy-5-nitrophenyl)amine355813-92-2ST45109326
Show more names
AB00087950-01N-cyclohexyl-2-methoxy-5-nitroaniline--oxalic acid (1/1)
Database identifiers
- CAS
5537-67-7- PubChem CID
- 793136
- DTXSID
DTXSID50970709- ChEMBL
CHEMBL1616057
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
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Related reactions
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Compound notes
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