Benzylamine, N-(2-chloroethyl)-2-ethoxy-5-nitro-
Basic information
- CAS
56538-02-4- Standard SMILES
CCOc1ccc([N+](=O)[O-])cc1CNCCCl- InChIKey
VMCCMKJABCHXOV-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O3
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.07712
Names & identifiers
- Preferred name
- Benzylamine, N-(2-chloroethyl)-2-ethoxy-5-nitro-
- IUPAC
- 2-chloro-N-[(2-ethoxy-5-nitrophenyl)methyl]ethanamine
- English name
- N-(2-Chloroethyl)-2-ethoxy-5-nitrobenzylamine
- Molecular formula
- C11H15ClN2O3
- Molecular weight
- 258.7
Names & synonyms
N-(2-Chloroethyl)-2-ethoxy-5-nitrobenzylamine56538-02-4BENZYLAMINE, N-(2-CHLOROETHYL)-2-ETHOXY-5-NITRO-BRN 3085070N-(2-Chloroethyl)aminomethyl-4-ethoxynitrobenzeneN-(2-Chloroethyl)-3-aminomethyl-4-ethoxynitrobenzeneBenzenemethanamine, N-(2-chloroethyl)-2-ethoxy-5-nitro-DTXSID10205100RefChem:328806DTXCID70127591DB-3084942-Chloro-N-[(2-ethoxy-5-nitrophenyl)methyl]ethan-1-amine
Database identifiers
- CAS
56538-02-4- PubChem CID
- 41916
- DTXSID
DTXSID10205100- Nikkaji
- J66.043D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Density
- 1.3252 · 1.3252 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…