Basic information
- CAS
33421-71-5- Standard SMILES
CN1CCN(CCOC(=O)C(C)(C)CC(C)(C)C)CC1.Cl.Cl- InChIKey
XBYLQGNCEDSSPH-UHFFFAOYSA-N- Molecular formula
- C16H34Cl2N2O2
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 356.1997337
Names & identifiers
- Preferred name
- Valeric acid, 2,2,4,4-tetramethyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride
- IUPAC
- 2-(4-methylpiperazin-1-yl)ethyl 2,2,4,4-tetramethylpentanoate;dihydrochloride
Names & synonyms
33421-71-5Valeric acid, 2,2,4,4-tetramethyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochlorideRefChem:11008872-(4-Methyl-1-piperazinyl)ethyl 2,2,4,4-tetramethylvalerate dihydrochloride2,2,4,4-Tetramethylvaleric acid 2-(4-methyl-1-piperazinyl)ethyl ester dihydrochloridePentanoic acid, 2,2,4,4-tetramethyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochlorideDTXSID309550392-(4-Methylpiperazin-1-yl)ethyl 2,2,4,4-tetramethylpentanoate--hydrogen chloride (1/2)
Database identifiers
- CAS
33421-71-5- PubChem CID
- 214540
- DTXSID
DTXSID30955039
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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