N-(prop-2-yn-1-yl)formamide
Basic information
- CAS
14502-66-0- Standard SMILES
C#CCNC=O- InChIKey
MTEWKKSTWKALQI-UHFFFAOYSA-N- Molecular formula
- C4H5NO
- Average molar mass
- 83.09 g/mol
- Monoisotopic mass
- 83.03711378
Names & identifiers
- Preferred name
- N-(prop-2-yn-1-yl)formamide
- IUPAC
- N-prop-2-ynylformamide
Names & synonyms
N-(prop-2-yn-1-yl)formamide14502-66-0RefChem:828615967-428-6N-formylpropargylamine3-formylaminopropynN-propargyl carboxamideSCHEMBL1006431SCHEMBL1767172MTEWKKSTWKALQI-UHFFFAOYSA-MTEWKKSTWKALQI-UHFFFAOYSA-NAKOS006346888
Show more names
DA-10203G57555EN300-1248314InChI=1/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)
Database identifiers
- CAS
14502-66-0- PubChem CID
- 9855445
- EC Number
- 967-428-6
- Nikkaji
- J2.137.192K
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 78.8
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%)
Related reactions
2 records
Compound notes
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