Ethyl 1-cyanopyrrolidine-2-carboxylate
Basic information
- CAS
1492934-51-6- Standard SMILES
CCOC(=O)C1CCCN1C#N- InChIKey
BVHFLNCWVOGCNV-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- Ethyl 1-cyanopyrrolidine-2-carboxylate
- IUPAC
- ethyl 1-cyanopyrrolidine-2-carboxylate
Names & synonyms
ethyl 1-cyanopyrrolidine-2-carboxylate1492934-51-6RefChem:593314862-632-0949-678-8ethyl1-cyanopyrrolidine-2-carboxylateEN300-5076758Z1649347498
Database identifiers
- CAS
1492934-51-6- PubChem CID
- 104185437
- EC Number
- 862-632-0、949-678-8
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
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, 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.
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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