1-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, methyl ester, hydrochloride
Basic information
- CAS
22048-31-3- Standard SMILES
COC(=O)C1(CCCN(C)C)OC(C)(C)c2ccccc21.Cl- InChIKey
DKGIBDZBGUDFGO-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1601214
Names & identifiers
- Preferred name
- 1-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, methyl ester, hydrochloride
- IUPAC
- methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylate;hydrochloride
Names & synonyms
LU 4-006 hydrochloride22048-31-31-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, methyl ester, hydrochloride3,3-Dimethyl-1-(3-(dimethylamino)propyl)-1-phthalancarboxylic acid methyl ester HClRefChem:233304DTXSID30944665Methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-1,3-dihydro-2-benzofuran-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
22048-31-3- PubChem CID
- 211007
- DTXSID
DTXSID30944665
Properties
Computed structural properties
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…