Basic information
- CAS
143347-10-8- Standard SMILES
C#CCN(C)CCCCCC(=O)OCC- InChIKey
HAPMBZKDJYFWHY-UHFFFAOYSA-N- Molecular formula
- C12H21NO2
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.15722891
Names & identifiers
- Preferred name
- Hexanoic acid, 6-(methyl-2-propynylamino)-, ethyl ester
- IUPAC
- ethyl 6-[methyl(prop-2-ynyl)amino]hexanoate
Names & synonyms
143347-10-8Hexanoic acid, 6-(methyl-2-propynylamino)-, ethyl esterSCHEMBL8660444ETHYL 6-[METHYL(PROP-2-YN-1-YL)AMINO]HEXANOATEDTXSID30434516
Database identifiers
- CAS
143347-10-8- PubChem CID
- 10036062
- DTXSID
DTXSID30434516- Nikkaji
- J509.636G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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