Basic information
- CAS
32496-85-8- Standard SMILES
C#CC(C)(CC)OC(=O)Nc1ccccc1- InChIKey
WAFZITIKYSEYOM-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- Carbanilic acid, 3-methyl-1-pentyn-3-yl ester
- IUPAC
- 3-methylpent-1-yn-3-yl N-phenylcarbamate
Names & synonyms
32496-85-8CARBANILIC ACID, 3-METHYL-1-PENTYN-3-YL ESTERRefChem:10810823-Methyl-1-pentyn-3-yl carbanilateNSC 408508BRN 23697271-Pentyn-3-ol, 3-methyl-, carbanilateNSC4085084-12-00-00637 (Beilstein Handbook Reference)DTXSID501384254NSC-408508
Database identifiers
- CAS
32496-85-8- PubChem CID
- 36151
- DTXSID
DTXSID501384254- Nikkaji
- J69.456H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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