Basic information
- CAS
21395-93-7- Standard SMILES
C[C@@H]1CCC(=O)N1- InChIKey
YVIVRJLWYJGJTJ-SCSAIBSYSA-N- Molecular formula
- C5H9NO
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Names & identifiers
- Preferred name
- (5R)-5-Methyl-2-pyrrolidinone
- IUPAC
- (5R)-5-methylpyrrolidin-2-one
- English name
- (5R)- 5-Methyl-2-Pyrrolidinone
- Molecular formula
- C5H9NO
- Molecular weight
- 99.13
Names & synonyms
21395-93-7(5R)-5-Methyl-2-pyrrolidinoneRefChem:404416873-538-4(R)-5-Methylpyrrolidin-2-one(5R)- 5-METHYL-2-PYRROLIDINONE(5R)-5-methylpyrrolidin-2-one2-Pyrrolidinone, 5-methyl-, (R)-MFCD19216883(r)-5-methyl-pyrrolidin-2-oneAKOS006350097PS-19940
Show more names
(5R)- 5-Methyl-2-Pyrrolidinone - [M84855]
CS-0046592EN300-99523P208942-Pyrrolidinone, 5-methyl-, (5R)-AMY37338(R)-5-methyl-2-pyrrolidinoneSCHEMBL1098454SCHEMBL1935384
Database identifiers
- CAS
21395-93-7- PubChem CID
- 643473
- EC Number
- 873-538-4
- Nikkaji
- J462.245F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 90.1
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 90 °C · 90 °C(Press: 1.8 Torr)
- Density
- 0.979 · 0.979±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 16.68 · 16.68±0.40(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m1/s1
- InChIKey
- YVIVRJLWYJGJTJ-SCSAIBSYSA-N
- SMILES
- N1[C@H](C)CCC1=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesUsed as Pharmaceutical Intermediates.
Suppliers34 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
PharmOrgSyn Laboratories Co., Ltd.+86-021-38228826 +86-13916602830 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京腾怡生物科技有限公司17714337195 · [email protected]
上海磐索医药科技有限公司021-20962833 15316628753 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海华默西医药科技有限公司021-+86-021-38228826 · [email protected]
济宁横渠生物技术有限公司18118824509 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
泰迩生物医药泰州有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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