Basic information
- CAS
710307-99-6- Standard SMILES
CC(=O)CC(=O)NCc1ccc(C)cc1- InChIKey
VEIYXUWSYZVVJQ-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- N-[(4-methylphenyl)methyl]-3-oxobutanamide
- IUPAC
- N-[(4-methylphenyl)methyl]-3-oxobutanamide
- English name
- CHEMBRDG-BB 7361334
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
710307-99-6N-(4-METHYLBENZYL)-3-OXOBUTANAMIDEN-[(4-methylphenyl)methyl]-3-oxobutanamideMFCD03584671SCHEMBL25567577DTXSID303993133-oxo-N-(p-tolylmethyl)butanamideAKOS000164622BS-36232DB-198905ST51029111EN300-42813
Show more names
CHEMBRDG-BB 7361334UKRORGSYN-BB BBV-056005Butanamide, N-[(4-methylphenyl)methyl]-3-oxo-N-(4-methylbenzyl)-3-oxobutanamide(SALTDATA: FREE)
F315452Z285671836VXW
Database identifiers
- CAS
710307-99-6- PubChem CID
- 4100581
- DTXSID
DTXSID30399313
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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