Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro-
Basic information
- CAS
61361-58-8- Standard SMILES
COc1ccc([N+](=O)[O-])cc1CNCCBr- InChIKey
OSWYWBCJIVTSBT-UHFFFAOYSA-N- Molecular formula
- C10H13BrN2O3
- Average molar mass
- 289.13 g/mol
- Monoisotopic mass
- 288.01095
Names & identifiers
- Preferred name
- Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro-
- IUPAC
- 2-bromo-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
- English name
- N-(2-Bromoethyl)-2-methoxy-5-nitrobenzylamine
- Molecular formula
- C10H13BrN2O3
- Molecular weight
- 289.13
Names & synonyms
61361-58-8N-(2-Bromoethyl)-2-methoxy-5-nitrobenzylamineBENZYLAMINE, N-(2-BROMOETHYL)-2-METHOXY-5-NITRO-N-(2-Bromoethyl)aminomethyl-4-methoxynitrobenzeneBenzenemethanamine, N-(2-bromoethyl)-2-methoxy-5-nitro-DTXSID70210275RefChem:328804DTXCID70132766DB-3201982-Bromo-N-[(2-methoxy-5-nitrophenyl)methyl]ethan-1-amine
Database identifiers
- CAS
61361-58-8- PubChem CID
- 43623
- DTXSID
DTXSID70210275- Nikkaji
- J66.042F
Properties
Computed structural properties
- XLogP
- 1.9
- 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
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Compound notes
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