Benzenemethanamine, 3-chloro-5-nitro-N-propyl-
Basic information
- CAS
90390-40-2- Standard SMILES
CCCNCc1cc(Cl)cc([N+](=O)[O-])c1- InChIKey
XGSWOUXMTOEILL-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O2
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.0665554
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-chloro-5-nitro-N-propyl-
- IUPAC
- N-[(3-chloro-5-nitrophenyl)methyl]propan-1-amine
Names & synonyms
Benzenemethanamine, 3-chloro-5-nitro-N-propyl-90390-40-2N-[(3-chloro-5-nitrophenyl)methyl]propan-1-amineCHEMBL1626572DTXSID50238159N-[(3-chloro-5-nitro-phenyl)methyl]propan-1-amine
Database identifiers
- CAS
90390-40-2- PubChem CID
- 457623
- DTXSID
DTXSID50238159- ChEMBL
CHEMBL1626572
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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