Basic information
- CAS
3063-79-4- Standard SMILES
Cc1ccc(N2CCCC2=O)cc1- InChIKey
ORPHOKOVVUFNKE-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)pyrrolidin-2-one
- IUPAC
- 1-(4-methylphenyl)pyrrolidin-2-one
- English name
- 1-(4-Methylphenyl)-2-pyrrolidinone
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
3063-79-41-(4-methylphenyl)pyrrolidin-2-one1-(p-Tolyl)pyrrolidin-2-one1-(4-Methylphenyl)-2-pyrrolidinone2-Pyrrolidinone, 1-(4-methylphenyl)-2-Pyrrolidinone, 1-p-tolyl-MFCD001384871-p-Tolyl-pyrrolidin-2-one1-(p-Methylphenyl)pyrrolidine-2-one1-p-TolylpyrrolidoneBionet2_000097SCHEMBL171739
Show more names
2-Pyrrolidone,1-(4-methylphenyl)-1-(4-METHYLPHENYL)-2-PYRROLIDINONE 99+%
SCHEMBL19356857DTXSID40342017HMS1364E091-(4-methylphenyl)-2-pyrrolidoneALBB-013517N-(4-Methylphenyl)-2-pyrrolidinoneAR-1D6098STK720178
Database identifiers
- CAS
3063-79-4- PubChem CID
- 577781
- DTXSID
DTXSID40342017- Nikkaji
- J122.142F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 86 · 86-88 °C
- Boiling point
- 306.53 °C · 306.53°C (rough estimate)
- Density
- 1.0582 · 1.0582 (rough estimate)
- refractive index
- 1.526 · 1.5260 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.06 · 1.06±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 305 · P305+P351+P338
- Safety Statements
- 24 · 24/25
- HazardClass
- IRRITANT
- HS Code
- 29337900 · 29337900
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
- hs_code
- 29337900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
绍兴久孚新材料科技有限公司0575-87095566 18067860628 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
济南奥思特医药科技有限公司0531-59840128 19353175568 · [email protected]
Related reactions
5 records
Compound notes
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