Basic information
- CAS
33421-70-4- Standard SMILES
CCN(CC)CCOC(=O)C(C)(C)CC(C)(C)C.Cl- InChIKey
XUCNEPNSXHQQGC-UHFFFAOYSA-N- Molecular formula
- C15H32ClNO2
- Average molar mass
- 293.87 g/mol
- Monoisotopic mass
- 293.212157
Names & identifiers
- Preferred name
- Valeric acid, 2,2,4,4-tetramethyl-, 2-diethylaminoethyl ester, hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 2,2,4,4-tetramethylpentanoate;hydrochloride
Names & synonyms
33421-70-42,2,4,4-Tetramethylvaleric acid 2-diethylaminoethyl ester hydrochlorideValeric acid, 2,2,4,4-tetramethyl-, 2-diethylaminoethyl ester, hydrochloride2-Diethylaminoethyl 2,2,4,4-tetramethylvalerate hydrochlorideDTXSID80187065Pentanoic acid, 2,2,4,4-tetramethyl-, 2-diethylaminoethyl ester, hydrochlorideRefChem:388247DTXCID901095562-(Diethylamino)ethyl 2,2,4,4-tetramethylpentanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
33421-70-4- PubChem CID
- 214538
- DTXSID
DTXSID80187065
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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