Basic information
- CAS
144807-49-8- Standard SMILES
CNc1ccc(C=O)c(C)c1- InChIKey
MSOBGYQNYCVRRI-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 2-Methyl-4-(methylamino)benzaldehyde
- IUPAC
- 2-methyl-4-(methylamino)benzaldehyde
- English name
- Benzaldehyde, 2-methyl-4-(methylamino)- (9CI)
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
144807-49-82-Methyl-4-(methylamino)benzaldehydeBenzaldehyde, 2-methyl-4-(methylamino)-SCHEMBL2766868DTXSID60665472MSOBGYQNYCVRRI-UHFFFAOYSA-NAKOS006377362DB-284815Benzaldehyde, 2-methyl-4-(methylamino)- (9CI)
Database identifiers
- CAS
144807-49-8- PubChem CID
- 45083649
- DTXSID
DTXSID60665472
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 283.1 · 283.1±28.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- pka
- 1.57 · 1.57±0.25(Predicted)
Chemistry & industry
Suppliers1 total
苏州宸瑞生物科技有限公司17625585511 · [email protected]
Related reactions
3 records
Compound notes
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