Butyn-1-ol, 4-(dimethylamino)-, acetate
Basic information
- CAS
3921-94-6- Standard SMILES
CC(=O)OCC#CCN(C)C- InChIKey
FLTGRCAASOHPRA-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Names & identifiers
- Preferred name
- Butyn-1-ol, 4-(dimethylamino)-, acetate
- IUPAC
- 4-(dimethylamino)but-2-ynyl acetate
Names & synonyms
Butyn-1-ol, 4-(dimethylamino)-, acetate3921-94-6RefChem:10804054-(dimethylamino)but-2-yn-1-yl acetate4-Dimethylaminobut-2-ynyl acetateBRN 17616184-(Dimethylamino)butyn-1-ol acetateDTXSID809599863-04-00-00836 (Beilstein Handbook Reference)
Database identifiers
- CAS
3921-94-6- PubChem CID
- 199266
- DTXSID
DTXSID80959986- Nikkaji
- J496.798D
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
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Related reactions
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Compound notes
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