N-phenylprop-2-ynamide
Basic information
- CAS
7341-97-1- Standard SMILES
C#CC(=O)Nc1ccccc1- InChIKey
MJTDYWXUZKOVHX-UHFFFAOYSA-N- Molecular formula
- C9H7NO
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.05276385
Names & identifiers
- Preferred name
- N-phenylprop-2-ynamide
- IUPAC
- N-phenylprop-2-ynamide
- English name
- N-phenylprop-2-ynamide
- Molecular formula
- C9H7NO
- Molecular weight
- 145.16
Names & synonyms
N-phenylprop-2-ynamide7341-97-1N-phenyl-2-propynamideN-PhenylpropiolamideMFCD056695282-Propynamide, N-phenyl-SCHEMBL5498646CHEMBL2314005MJTDYWXUZKOVHX-UHFFFAOYSA-NN-phenyl-prop-2-ynoic acid amideBDBM698924US12605353, Compound C4
Show more names
Propynoic acid phenylamide
AKOS015994177MS-1329
Database identifiers
- CAS
7341-97-1- PubChem CID
- 3300301
- ChEMBL
CHEMBL2314005- Nikkaji
- J1.264.721B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 86 °C · 86 °C
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- pka
- 11.41 · 11.41±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Related reactions
1 records
Compound notes
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