Basic information
- CAS
39887-40-6- Standard SMILES
CCCNC(=O)c1ccc(C)cc1- InChIKey
MEKGGTFUDJLKHR-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 4-methyl-N-propylbenzamide
- IUPAC
- 4-methyl-N-propylbenzamide
- English name
- 4-Methyl-N-n-propylbenzaMide, 97%
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
4-methyl-N-propylbenzamide39887-40-64-Methyl-N-n-propylbenzamideBenzamide, 4-methyl-N-propyl-SCHEMBL95372SCHEMBL765958SCHEMBL7208359SCHEMBL10489386DTXSID10393935MEKGGTFUDJLKHR-UHFFFAOYSA-NAKOS0038497354-Methyl-N-n-propylbenzaMide, 97%
Database identifiers
- CAS
39887-40-6- PubChem CID
- 3589084
- DTXSID
DTXSID10393935- Nikkaji
- J582.291B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 320.4 · 320.4±21.0 °C(Predicted)
- Density
- 0.989 · 0.989±0.06 g/cm3(Predicted)
- pka
- 15.25 · 15.25±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers2 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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