4-ethenyl-N,N-dimethylbenzeneamine oxide
Basic information
- CAS
13276-13-6- Standard SMILES
C=Cc1ccc([N+](C)(C)[O-])cc1- InChIKey
AMAHCXRUCLJIPD-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 4-ethenyl-N,N-dimethylbenzeneamine oxide
- IUPAC
- 4-ethenyl-N,N-dimethylbenzeneamine oxide
- English name
- Aniline, N,N-dimethyl-p-vinyl-, N-oxide (7CI,8CI)
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
4-ethenyl-N,N-dimethylbenzeneamine oxide72878-77-413276-13-6NSC171335Aniline, N,N-dimethyl-p-vinyl-, N-oxide (7CI,8CI)DTXSID60305649NSC-1713354-Ethenyl-N,N-dimethylbenzen-1-amine N-oxideBenzenamine, 4-ethenyl-N,N-dimethyl-, N-oxideAniline, N,N-dimethyl-p-vinyl-, N-oxide (7CI,8CI)
Database identifiers
- CAS
13276-13-6、72878-77-4- PubChem CID
- 298958
- DTXSID
DTXSID60305649
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- pka
- 4.54 · 4.54±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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