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Basic information
- CAS
22050-10-8- Standard SMILES
O=C1CCC(c2ccccc2)N1- InChIKey
TVESJBDGOZUZRH-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 5-phenyl-
- IUPAC
- 5-phenylpyrrolidin-2-one
- English name
- 5-Phenyl-2-pyrollidinone
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
5-phenylpyrrolidin-2-one5-Phenyl-2-pyrrolidinone2-Pyrrolidinone, 5-phenyl-Lactam of gamma-phenyl-gamma-aminobutyric acidNSC 28857BRN 0125177DTXSID5013128635-21-08-00087 (Beilstein Handbook Reference)RefChem:483506DTXCID501742705821-853-222050-10-8
Show more names
(+/-)-5-phenyl-2-pyrrolidinone5-phenylpyrrolidin-2-one - [AC80737]
MFCD016872275-PHENYL-2-PYROLLIDINONENSC288575-phenyl-pyrrolidin-2-onegamma-phenyl-gamma-butyrolactamSCHEMBL1521799SCHEMBL1521802SCHEMBL1937328
Database identifiers
- CAS
22050-10-8- PubChem CID
- 95672
- DTXSID
DTXSID501312863- EC Number
- 821-853-2
- Nikkaji
- J1.245.298E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- Boiling point
- 362.3 · 362.3±31.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.88 · 15.88±0.40(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- 31.8 ° · 31.8° (C=0.60 g/100ml,CHCL3,20°C,589nm)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Toxicity
- 50 · mouse,LD50,intraperitoneal,450mg/kg (450mg/kg),BEHAVIORAL: ATAXIABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Archivum Immunologiae et Therapiae Experimentalis. Vol. 23, Pg. 733, 1975.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Toxicity
- mouse,LD50,intraperitoneal,450mg/kg (450mg/kg),BEHAVIORAL: ATAXIABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Archivum Immunologiae et Therapiae Experimentalis. Vol. 23, Pg. 733, 1975.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-Phenylpyrrolidin-2-one is a useful research chemical, a potential neurotropic agent.
Suppliers29 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]
Protheragen-ING+86-15618352007 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
宿州利元生物医药科技有限公司
Related reactions
9 records
Compound notes
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