Basic information
- CAS
38697-68-6- Standard SMILES
CN(C)CC#CCOC(=O)c1ccccc1- InChIKey
RFWSKQOCEPHONN-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester)
- IUPAC
- 4-(dimethylamino)but-2-ynyl benzoate
Names & synonyms
BRN 19622912-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester)38697-68-64-N-Dimethylaminobutyn-2-yl ester of benzoic acidDTXSID101919934-09-00-00567 (Beilstein Handbook Reference)RefChem:258110DTXCID501144844-(dimethylamino)but-2-yn-1-yl benzoate
Database identifiers
- CAS
38697-68-6- PubChem CID
- 217367
- DTXSID
DTXSID10191993
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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