2,5-dioxopyrrolidin-1-yl N-[2-(pyridin-3-yl)ethyl]carbamate
Basic information
- CAS
2919954-52-0- Standard SMILES
O=C(NCCc1cccnc1)ON1C(=O)CCC1=O- InChIKey
QSJCGYKIZMDKHO-UHFFFAOYSA-N- Molecular formula
- C12H13N3O4
- Average molar mass
- 263.25 g/mol
- Monoisotopic mass
- 263.0906059
Names & identifiers
- Preferred name
- 2,5-dioxopyrrolidin-1-yl N-[2-(pyridin-3-yl)ethyl]carbamate
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-3-ylethyl)carbamate
Names & synonyms
2,5-dioxopyrrolidin-1-yl N-[2-(pyridin-3-yl)ethyl]carbamate2919954-52-0EN300-45167470
Database identifiers
- CAS
2919954-52-0- PubChem CID
- 167733763
- EC Number
- 176-594-1
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
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.
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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