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Basic information
- CAS
4641-57-0- Standard SMILES
O=C1CCCN1c1ccccc1- InChIKey
JMVIVASFFKKFQK-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 1-Phenylpyrrolidin-2-one
- IUPAC
- 1-phenylpyrrolidin-2-one
- English name
- 1-Phenyl-2-pyrrolidinone
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
1-Phenylpyrrolidin-2-one1-Phenyl-2-pyrrolidinoneN-Phenyl pyrrolidoneV8JL6C4DFLN-PhenylbutyrolactamEINECS 225-069-6NSC-25325DTXSID60196837NSC 25325RefChem:77011DTXCID00119328225-069-6
Show more names
N-PhenylopyronePhenylpyrrolidoneVITAS-BB TBB000660N-PhenylbutyrolactamePhenylpyrrolidone>99%N-phenylpyrrolidinone
InChI=1/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8HJMVIVASFFKKFQK-UHFFFAOYSA-N4641-57-01-Phenyl-2-pyrrolidone2-Pyrrolidinone, 1-phenyl-N-Phenyl-2-pyrrolidinone1-Phenyl-pyrrolidin-2-oneN-Phenyl-2-pyrrolidone
Database identifiers
- CAS
4641-57-0- PubChem CID
- 78375
- DTXSID
DTXSID60196837- ChEMBL
CHEMBL97990- UNII
- V8JL6C4DFL
- EC Number
- 225-069-6
- Nikkaji
- J122.134E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 67 · 67-69 °C (lit.)
- Boiling point
- 123 °C/0.2 · 123 °C/0.2 mmHg (lit.)
- Density
- 1.084 · 1.0840 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- Flash point
- 123 °C/0.2mm · 123°C/0.2mm
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
- form
- Solid
- pka
- 0.54 · 0.54±0.20(Predicted)
- color
- Light Beige
- Water Solubility
- Soluble in chloroform and ethyl Acetate. Insoluble in water.
- BRN
- 130685 · 130685
- InChI
- 1S/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
- InChIKey
- JMVIVASFFKKFQK-UHFFFAOYSA-N
- SMILES
- O=C1CCCN1c2ccccc2
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29337900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesA novel derivative of 1-phenyl-2-pyrrolidinone, blebbistatin, inhibits non-muscle myocin II activity with high specificity.
Upstream & downstream products
Downstream products
Suppliers100 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Baoji Guokang Healthchem co.,ltd
Related reactions
18 records
Compound notes
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