Basic information
- CAS
66859-49-2- Standard SMILES
CC(C)(C)CC(=O)OCC[NH+]1CCOCC1.[Cl-]- InChIKey
TYCMJBAPZOCRJI-UHFFFAOYSA-N- Molecular formula
- C12H24ClNO3
- Average molar mass
- 265.78 g/mol
- Monoisotopic mass
- 265.1444713
Names & identifiers
- Preferred name
- Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)
- IUPAC
- 2-morpholin-4-ium-4-ylethyl 3,3-dimethylbutanoate chloride
Names & synonyms
66859-49-2RefChem:1080321Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)3,3-Dimethylbutyric acid (2-morpholinoethyl) ester hydrochloridebeta-4-Morpholineethyl t-butylacetate hydrochlorideBUTYRIC ACID, 3,3-DIMETHYL-, (2-MORPHOLINOETHYL) ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66859-49-2- PubChem CID
- 48191
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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