Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-
Basic information
- CAS
61361-59-9- Standard SMILES
CCOc1ccc([N+](=O)[O-])cc1CNCCBr- InChIKey
YDSQNVQJZNBVNQ-UHFFFAOYSA-N- Molecular formula
- C11H15BrN2O3
- Average molar mass
- 303.15 g/mol
- Monoisotopic mass
- 302.0266
Names & identifiers
- Preferred name
- Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-
- IUPAC
- 2-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]ethanamine
- English name
- N-(2-Bromoethyl)-2-ethoxy-5-nitrobenzylamine
- Molecular formula
- C11H15BrN2O3
- Molecular weight
- 303.15
Names & synonyms
61361-59-9N-(2-Bromoethyl)-2-ethoxy-5-nitrobenzylamineBENZYLAMINE, N-(2-BROMOETHYL)-2-ETHOXY-5-NITRO-N-(2-Bromoethyl)aminomethyl-4-ethoxynitrobenzeneDTXSID30210276RefChem:328803DTXCID30132767DB-3201972-Bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]ethan-1-amineBenzenemethanamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-
Database identifiers
- CAS
61361-59-9- PubChem CID
- 43624
- DTXSID
DTXSID30210276- Nikkaji
- J66.041H
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- Boiling point
- 409.7 · 409.7±40.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- pka
- 6.69 · 6.69±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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