Valeric acid, 2,2-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride
Basic information
- CAS
25217-59-8- Standard SMILES
CCCC(C)(C)C(=O)OCCN(CC)CC.Cl- InChIKey
HEESXQXBZNWYTE-UHFFFAOYSA-N- Molecular formula
- C13H28ClNO2
- Average molar mass
- 265.82 g/mol
- Monoisotopic mass
- 265.1808568
Names & identifiers
- Preferred name
- Valeric acid, 2,2-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 2,2-dimethylpentanoate;hydrochloride
Names & synonyms
25217-59-8Valeric acid, 2,2-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride2,2-Dimethylvaleric acid 2-(diethylamino)ethyl ester hydrochlorideDTXSID10179877Pentanoic acid, 2,2-dimethyl-, 2-(diethylamino)ethyl ester, hydrochlorideRefChem:388255DTXCID701023682-(Diethylamino)ethyl 2,2-dimethylpentanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
25217-59-8- PubChem CID
- 212862
- DTXSID
DTXSID10179877
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 198
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Compound notes
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