2,6-Dimethyl-3-(propan-2-yl)aniline
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Basic information
- CAS
596826-42-5- Standard SMILES
Cc1ccc(C(C)C)c(C)c1N- InChIKey
GLAQHASROVXNKU-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609955
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3-(propan-2-yl)aniline
- IUPAC
- 2,6-dimethyl-3-propan-2-ylaniline
- English name
- Benzenamine, 2,6-dimethyl-3-(1-methylethyl)- (9CI)
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
596826-42-52,6-Dimethyl-3-(propan-2-yl)anilineBENZENAMINE, 2,6-DIMETHYL-3-(1-METHYLETHYL)-SCHEMBL27251482DTXSID50399678DB-325795Benzenamine, 2,6-dimethyl-3-(1-methylethyl)- (9CI)
Database identifiers
- CAS
596826-42-5- PubChem CID
- 4131086
- DTXSID
DTXSID50399678
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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