Basic information
- CAS
41106-03-0- Standard SMILES
Cc1cc(C)c(/C=[N+](\C)[O-])c(C)c1- InChIKey
QUPJCNAAUMBYDK-KPKJPENVSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- Methanamine, N-((2,4,6-trimethylphenyl)methylene)-, N-oxide
- IUPAC
- N-methyl-1-(2,4,6-trimethylphenyl)methanimine oxide
- English name
- Methanamine, N-[(2,4,6-trimethylphenyl)methylene]-, N-oxide
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
41106-03-0Methanamine, N-((2,4,6-trimethylphenyl)methylene)-, N-oxideMethanamine,N-[(2,4,6-trimethylphenyl)methylene]-N-oxide(MESITYLMETHYLENE)(METHYL)AZANE OXIDEMethanamine, N-[(2,4,6-trimethylphenyl)methylene]-, N-oxide
Database identifiers
- CAS
41106-03-0- PubChem CID
- 3036364
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 28.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 172 · 172-173 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 301.8 · 301.8±52.0 °C(Predicted)
- Density
- 0.994 · 0.994±0.06 g/cm3(Predicted)
- pka
- 1.66 · 1.66±0.53(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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