Basic information
- CAS
339062-76-9- Standard SMILES
CNc1cccc(C=O)c1- InChIKey
NNZUWTNLXGNSHE-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- 3-(Methylamino)benzaldehyde
- IUPAC
- 3-(methylamino)benzaldehyde
- English name
- Benzaldehyde, 3-(methylamino)- (9CI)
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
3-(methylamino)benzaldehyde339062-76-9Benzaldehyde, 3-(methylamino)- (9CI)MFCD04004100BENZALDEHYDE, 3-(METHYLAMINO)-SCHEMBL95531SCHEMBL95532SCHEMBL9194421DTXSID00395180PNA06276AKOS006376115DB-273549
Show more names
CS-0253510G42933EN300-6460190Z1203829743
Database identifiers
- CAS
339062-76-9- PubChem CID
- 3696619
- DTXSID
DTXSID00395180
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 265.8 · 265.8±23.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- 4.09 · 4.09±0.25(Predicted)
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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