Basic information
- CAS
33451-91-1- Standard SMILES
CC(C)(C)CC(C)(C)C(=O)OCCN1CCCCC1.Cl- InChIKey
SIYYAAZETLFJJZ-UHFFFAOYSA-N- Molecular formula
- C16H32ClNO2
- Average molar mass
- 305.9 g/mol
- Monoisotopic mass
- 305.212157
Names & identifiers
- Preferred name
- Valeric acid, 2,2,4,4-tetramethyl-, 2-piperidinoethyl ester, hydrochloride
- IUPAC
- 2-piperidin-1-ylethyl 2,2,4,4-tetramethylpentanoate;hydrochloride
Names & synonyms
33451-91-1Valeric acid, 2,2,4,4-tetramethyl-, 2-piperidinoethyl ester, hydrochlorideRefChem:11008882,2,4,4-Tetramethylvaleric acid 2-piperidinoethyl ester hydrochlorideDTXSID009550812-Piperidinoethyl 2,2,4,4-tetramethylvalerate hydrochloridePentanoic acid, 2,2,4,4-tetramethyl-, 2-piperidinoethyl ester, hydrochloride2-(Piperidin-1-yl)ethyl 2,2,4,4-tetramethylpentanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
33451-91-1- PubChem CID
- 214554
- DTXSID
DTXSID00955081
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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