Basic information
- CAS
20687-53-0- Standard SMILES
CC(C)(C)N1CCCC1=O- InChIKey
LUVQSCCABURXJL-UHFFFAOYSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Names & identifiers
- Preferred name
- N-tert-Butyl-2-pyrrolidone
- IUPAC
- 1-tert-butylpyrrolidin-2-one
- English name
- 1-(tert-butyl)pyrrolidin-2-one
- Molecular formula
- C8H15NO
- Molecular weight
- 141.21
Names & synonyms
20687-53-01-(tert-Butyl)pyrrolidin-2-oneAA55UZ4XZNDTXSID50174745RefChem:1092109n-tert-butyl-2-pyrrolidoneDTXCID1097236243-972-31-tert-butylpyrrolidin-2-one2-Pyrrolidinone, 1-(1,1-dimethylethyl)-1-TERT-BUTYL-2-PYRROLIDINONE1-tert-butyl-pyrrolidin-2-one
Show more names
N-tert-Butyl-2-pyrrolidinone1-tert-Butyl-2-pyrrolidone1-tert-Butyl-2-pyrrolizinone1-(1,1-Dimethylethyl)pyrrolidin-2-one
MFCD00673042EINECS 243-972-3UNII-AA55UZ4XZNN-t-butyl-2-pyrrolidinoneSCHEMBL329516SCHEMBL2184802LUVQSCCABURXJL-UHFFFAOYSA-NAKOS028110919
Database identifiers
- CAS
20687-53-0- PubChem CID
- 88653
- DTXSID
DTXSID50174745- UNII
- AA55UZ4XZN
- EC Number
- 243-972-3
- Nikkaji
- J225.304F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 227 ℃ · 227℃
- Density
- 0.99 · 0.990
- Flash point
- 97 ℃ · 97℃
- pka
- -0.41 · -0.41±0.20(Predicted)
- FDA UNII
- 55 UZ4XZN · AA55UZ4XZN
Chemistry & industry
Suppliers23 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
安徽欣赢科技有限公司17356895373 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…