Benzylamine, N-(2-chloroethyl)-2-methoxy-5-nitro-
Basic information
- CAS
56538-01-3- Standard SMILES
COc1ccc([N+](=O)[O-])cc1CNCCCl- InChIKey
APKWZCHXKUTRGW-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O3
- Average molar mass
- 244.67 g/mol
- Monoisotopic mass
- 244.06147
Names & identifiers
- Preferred name
- Benzylamine, N-(2-chloroethyl)-2-methoxy-5-nitro-
- IUPAC
- 2-chloro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
- English name
- N-(2-Chloroethyl)-2-methoxy-5-nitrobenzylamine
- Molecular formula
- C10H13ClN2O3
- Molecular weight
- 244.67
Names & synonyms
56538-01-3N-(2-Chloroethyl)-2-methoxy-5-nitrobenzylamineBENZYLAMINE, N-(2-CHLOROETHYL)-2-METHOXY-5-NITRO-BRN 3084795N-(2-Chloroethyl)aminomethyl-4-methoxynitrobenzeneDTXSID60205099RefChem:328807DTXCID101275902-chloro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamineEY6EN95ZQMDB-308495N-(2-Chloroethyl)-2-methoxy-5-nitrobenzenemethanamine
Show more names
2-Chloro-N-[(2-methoxy-5-nitrophenyl)methyl]ethan-1-amineBenzenemethanamine, N-(2-chloroethyl)-2-methoxy-5-nitro-
Database identifiers
- CAS
56538-01-3- PubChem CID
- 41915
- DTXSID
DTXSID60205099- UNII
- EY6EN95ZQM
- Nikkaji
- J66.044B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Density
- 1.3724 · 1.3724 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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