Basic information
- CAS
33421-69-1- Standard SMILES
CC(C)(C)CC(C)(C)C(=O)OCCCN1CCOCC1.Cl- InChIKey
XGTJNGWLPZOORC-UHFFFAOYSA-N- Molecular formula
- C16H32ClNO3
- Average molar mass
- 321.9 g/mol
- Monoisotopic mass
- 321.2070716
Names & identifiers
- Preferred name
- Valeric acid, 2,2,4,4-tetramethyl-, 3-morpholinopropyl ester, hydrochloride
- IUPAC
- 3-morpholin-4-ylpropyl 2,2,4,4-tetramethylpentanoate;hydrochloride
Names & synonyms
33421-69-12,2,4,4-Tetramethylvaleric acid 3-morpholinopropyl ester hydrochlorideValeric acid, 2,2,4,4-tetramethyl-, 3-morpholinopropyl ester, hydrochloride3-Morpholinopropyl 2,2,4,4-tetramethylvalerate hydrochlorideDTXSID20187064Pentanoic acid, 2,2,4,4-tetramethyl-, 3-morpholinopropyl ester, hydrochlorideRefChem:388251DTXCID301095553-(Morpholin-4-yl)propyl 2,2,4,4-tetramethylpentanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
33421-69-1- PubChem CID
- 214536
- DTXSID
DTXSID20187064
Properties
Computed structural properties
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…