2,6-Dimethylphenylhydroxylamine
Basic information
- CAS
3096-63-7- Standard SMILES
Cc1cccc(C)c1NO- InChIKey
YFVSZHCWKQTSGT-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 2,6-Dimethylphenylhydroxylamine
- IUPAC
- N-(2,6-dimethylphenyl)hydroxylamine
Names & synonyms
Benzenamine, N-hydroxy-2,6-dimethyl-2,6-Xylylhydroxylamine2,6-DimethylphenylhydroxylamineCCRIS 5431N-Hydroxy-2,6-dimethylbenzenamineGQ8EDF3D00n-hydroxy-2,6-dimethylanilineBRN 2081120Hydroxylamine, N-(2,6-xylyl)-UNII-GQ8EDF3D00N-HYDROXY-2,6-XYLIDINEDTXSID50184945
Show more names
2-15-00-00018 (Beilstein Handbook Reference)RefChem:197464DTXCID90107436Benzenamine, N-hydroxy-2,6-dimethyl-(9CI)N-(2,6-dimethylphenyl)hydroxylamine3096-63-72-(hydroxyamino)-1,3-dimethylbenzeneMFCD01721992
Database identifiers
- CAS
3096-63-7- PubChem CID
- 145679
- DTXSID
DTXSID50184945- ChEMBL
CHEMBL3278068- UNII
- GQ8EDF3D00
- Nikkaji
- J534.611H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.4
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN-(2,6-dimethylphenyl)hydroxylamine is a known human metabolite of 2,6-Xylidine.
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Compound notes
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