Basic information
- CAS
73855-79-5- Standard SMILES
O=[N+]([O-])c1cc(C=NN2CCCCCC2)ccc1Cl- InChIKey
RSUACCCXPXYDJT-UHFFFAOYSA-N- Molecular formula
- C13H16ClN3O2
- Average molar mass
- 281.74 g/mol
- Monoisotopic mass
- 281.0931045
Names & identifiers
- Preferred name
- N-(azepan-1-yl)-1-(4-chloro-3-nitrophenyl)methanimine
- IUPAC
- N-(azepan-1-yl)-1-(4-chloro-3-nitrophenyl)methanimine
Names & synonyms
MLS002694499NCIOpen2_004461CHEMBL1699036N-(azepan-1-yl)-1-(4-chloro-3-nitrophenyl)methanimineDTXSID40995002HMS3089C16SMR001560427
Database identifiers
- CAS
73855-79-5- PubChem CID
- 52671
- DTXSID
DTXSID40995002- ChEMBL
CHEMBL1699036
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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