2-Methyl-2-(pyrrolidin-1-yl)propyl 2,6-dimethyl-4-propoxybenzoate--hydrogen chloride (1/1)
Basic information
- CAS
95619-40-2- Standard SMILES
CCCOc1cc(C)c(C(=O)OCC(C)(C)[NH+]2CCCC2)c(C)c1.[Cl-]- InChIKey
CVLJQEVYYPWOOA-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO3
- Average molar mass
- 369.9 g/mol
- Monoisotopic mass
- 369.2070716
Names & identifiers
- Preferred name
- 2-Methyl-2-(pyrrolidin-1-yl)propyl 2,6-dimethyl-4-propoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- (2-methyl-2-pyrrolidin-1-ium-1-ylpropyl) 2,6-dimethyl-4-propoxybenzoate chloride
Names & synonyms
95619-40-2DTXSID509149062-Methyl-2-(pyrrolidin-1-yl)propyl 2,6-dimethyl-4-propoxybenzoate--hydrogen chloride (1/1)RefChem:1063682DTXCID501343890U-23632,6-Dimethyl-4-propoxy-benzoic acid 2-methyl-2-(1-pyrrolidinyl)propyl esterBenzoic acid, 2,6-dimethyl-4-propoxy-, 2-methyl-2-(1-pyrrolidinyl)propyl ester, hydrochloride
Database identifiers
- CAS
95619-40-2- PubChem CID
- 56955
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 392
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Compound notes
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