1-(1,3-Dioxobutyl)pyrrolidine
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Basic information
- CAS
41153-96-2- Standard SMILES
CC(=O)CC(=O)N1CCCC1- InChIKey
GOHRQEHMWBECSS-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Names & identifiers
- Preferred name
- 1-(1,3-Dioxobutyl)pyrrolidine
- IUPAC
- 1-pyrrolidin-1-ylbutane-1,3-dione
- English name
- 1-(1,3-dioxobutyl)pyrrolidine
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19
Names & synonyms
1-(1,3-Dioxobutyl)pyrrolidine1-(pyrrolidin-1-yl)butane-1,3-dione41153-96-21-pyrrolidinylbutane-1,3-dioneEINECS 255-242-1NSC3542551-(3-oxobutyryl)pyrrolidineSCHEMBL2417219DTXSID10194085SBB056518AKOS000165748NSC 354255
Show more names
1-(3-Oxobutanoyl)pyrrolidine1-Pyrrolizino-1,3-butanedione1,3-Butanedione, 1-(1-pyrrolidinyl)-
NSC-354255NS00030930ST50973523
Database identifiers
- CAS
41153-96-2- PubChem CID
- 100722
- DTXSID
DTXSID10194085- EC Number
- 255-242-1
- Nikkaji
- J294.843E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 292.4 · 292.4±23.0 °C(Predicted)
- Density
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- pka
- 12.97 · 12.97±0.20(Predicted)
- Comptox DTXSID
- 10194085 · DTXSID10194085
- HS Code
- 2933990099 · 2933990099
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
- 2933990099
Related reactions
3 records
Compound notes
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