Benzenemethanamine, N-butyl-3-chloro-5-nitro-
Basic information
- CAS
90390-41-3- Standard SMILES
CCCCNCc1cc(Cl)cc([N+](=O)[O-])c1- InChIKey
LQKPXLHAQOGOCI-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O2
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.0822054
Names & identifiers
- Preferred name
- Benzenemethanamine, N-butyl-3-chloro-5-nitro-
- IUPAC
- N-[(3-chloro-5-nitrophenyl)methyl]butan-1-amine
Names & synonyms
Benzenemethanamine, N-butyl-3-chloro-5-nitro-90390-41-3N-[(3-chloro-5-nitrophenyl)methyl]butan-1-amineCHEMBL1626660DTXSID60238160N-[(3-chloro-5-nitro-phenyl)methyl]butan-1-amine90389-79-0
Database identifiers
- CAS
90390-41-3- PubChem CID
- 457624
- DTXSID
DTXSID60238160- ChEMBL
CHEMBL1626660
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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