3-Phenyl-N-(prop-2-yn-1-yl)prop-2-ynamide
Basic information
- CAS
653592-85-9- Standard SMILES
C#CCNC(=O)C#Cc1ccccc1- InChIKey
ZLAFVHLRJLOTNT-UHFFFAOYSA-N- Molecular formula
- C12H9NO
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.06841391
Names & identifiers
- Preferred name
- 3-Phenyl-N-(prop-2-yn-1-yl)prop-2-ynamide
- IUPAC
- 3-phenyl-N-prop-2-ynylprop-2-ynamide
- English name
- 2-Propynamide, 3-phenyl-N-2-propynyl-
- Molecular formula
- C12H9NO
- Molecular weight
- 183.20596
Names & synonyms
653592-85-93-PHENYL-N-(PROP-2-YN-1-YL)PROP-2-YNAMIDEDTXSID20734198RefChem:281783DTXCID206849422-Propynamide, 3-phenyl-N-2-propynyl-AKOS0106002882-Propynamide, 3-phenyl-N-2-propyn-1-yl-
Database identifiers
- CAS
653592-85-9- PubChem CID
- 61344674
- DTXSID
DTXSID20734198- Nikkaji
- J1.995.801I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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