1. Names and Identifiers
- 1.1 Name
- 2-PYRROLIDONE OXIME
- 1.2 Synonyms
- (2E)-N-hydroxypyrrolidin-2-imine; 2-(hydroxyimino)pyrrolidine; 2H-Pyrrol-5-amine, 3,4-dihydro-N-hydroxy-; 2-Hydroxyimino-pyrrolidin; 2-Pyrrolidinone, oxime; 2-Pyrrolidonoxim; PYRROLIDIN-2-ONE OXIME; Pyrrolidin-2-on-oxim;
- 1.3 CAS No.
- 1120-81-6
- 1.4 CID
- 1201479
- 1.5 Molecular Formula
- C4H8N2O
- 1.6 Inchi
- InChI=1S/C4H8N2O/c7-6-4-2-1-3-5-4/h7H,1-3H2,(H,5,6)
- 1.7 InChkey
- LWHAOTMEDNFAEN-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1CC(=NC1)NO
- 1.9 Isomers Smiles
- C1CC(=NC1)NO
2. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
3. Computed Properties
- Molecular Weight：100.121g/mol
- Molecular Formula：C4H8N2O
- Compound Is Canonicalized：True
- Exact Mass：-1
- XLogP3-AA：100.063662883
- Monoisotopic Mass：100.063662883
- Complexity：89.7
- Rotatable Bond Count：1
- Hydrogen Bond Donor Count：2
- Hydrogen Bond Acceptor Count：2
- Topological Polar Surface Area：44.6
- Heavy Atom Count：：7
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADccBjIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHAAUCAAACADBAAQBAAJQAAAgAAIgJAAAAAEAAAAgAAAwAAAAAAAAgAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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Tel:
Update Time:2019/11/25
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Tel:
Update Time:2015/07/16
5. Realated Product Infomation
EN
