Basic information
- CAS
29271-92-9- Standard SMILES
CN(C)CCCC1(C(=O)O)OC(C)(C)c2ccccc21.Cl- InChIKey
QRESTJHVKFETTR-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO3
- Average molar mass
- 313.82 g/mol
- Monoisotopic mass
- 313.1444713
Names & identifiers
- Preferred name
- 1-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, hydrochloride
- IUPAC
- 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylic acid;hydrochloride
Names & synonyms
29271-92-9LU-4-0021-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, hydrochloride3,3-Dimethyl-1-(3-(dimethylamino)propyl)-1-phthalancarboxylic acid hydrochloride1-Phthalancarboxylic acid, 1-(3-(dimethylamino)propyl)-3,3-dimethyl-, hydrochlorideRefChem:233303DTXSID609518621-[3-(Dimethylamino)propyl]-3,3-dimethyl-1,3-dihydro-2-benzofuran-1-carboxylic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
29271-92-9- PubChem CID
- 207170
- DTXSID
DTXSID60951862
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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