N-Nitroso-N-(p-fluorobenzyl)methylamine
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Basic information
- CAS
84174-21-0- Standard SMILES
CN(Cc1ccc(F)cc1)N=O- InChIKey
MJELNUZGIUQWAW-UHFFFAOYSA-N- Molecular formula
- C8H9FN2O
- Average molar mass
- 168.17 g/mol
- Monoisotopic mass
- 168.06989108
Names & identifiers
- Preferred name
- N-Nitroso-N-(p-fluorobenzyl)methylamine
- IUPAC
- N-[(4-fluorophenyl)methyl]-N-methylnitrous amide
- English name
- N-Methyl-N-nitroso-p-fluorobenzylamine
- Molecular formula
- C8H9FN2O
- Molecular weight
- 168.17
Names & synonyms
84174-21-0BENZYLAMINE, p-FLUORO-N-METHYL-N-NITROSO-NXM42B84YXN-Nitroso-N-(4-fluorobenzyl)methylamineN-[(4-fluorophenyl)methyl]-N-methylnitrous amideN-((4-Fluorophenyl)methyl)-N-methylnitrous amideCCRIS 2570N-Nitroso-N-(p-fluorobenzyl)methylamineN-Nitrosomethyl-4-fluorobenzylaminep-Fluoro-N-methyl-N-nitrosobenzylamineBRN 5513515(4-Fluorobenzyl)methylnitrosamine
Show more names
N-Methyl-N-nitroso-p-fluorobenzylamine
UNII-NXM42B84YXCHEMBL107003SCHEMBL15597736DTXSID30879403N-nitroso-methyl-4-fluorobenzylamineMFCD01732439SY376015Benzenemethanamine, 4-fluoro-N-methyl-N-nitroso-
Database identifiers
- CAS
84174-21-0- PubChem CID
- 55203
- DTXSID
DTXSID30879403- ChEMBL
CHEMBL107003- UNII
- NXM42B84YX
- Nikkaji
- J66.054J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
LogP1.67
Physicochemical properties
- FDA UNII
- 42 B84YX · NXM42B84YX
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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