1-Acetylpyrrolidine-2-carbonitrile
Basic information
- CAS
858450-30-3- Standard SMILES
CC(=O)N1CCCC1C#N- InChIKey
ZHUTVLURGLOKMO-UHFFFAOYSA-N- Molecular formula
- C7H10N2O
- Average molar mass
- 138.17 g/mol
- Monoisotopic mass
- 138.07931295
Names & identifiers
- Preferred name
- 1-Acetylpyrrolidine-2-carbonitrile
- IUPAC
- 1-acetylpyrrolidine-2-carbonitrile
Names & synonyms
1-acetylpyrrolidine-2-carbonitrile858450-30-3RefChem:429042978-763-2acetylpyrrolidine2-carbonitrileSCHEMBL3344556SCHEMBL3362068SCHEMBL4465428IJB45030AKOS013736706EN300-199975G55773
Show more names
2-Pyrrolidinecarbonitrile,1-acetyl-,(2S)-(9CI)Z1227728672
Database identifiers
- CAS
858450-30-3- PubChem CID
- 17860915
- EC Number
- 978-763-2
- Nikkaji
- J3.798.675E
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 191
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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