Carvacrol, 3-(2-(dimethylamino)ethoxy)-, hydrochloride
Basic information
- CAS
102281-01-6- Standard SMILES
Cc1ccc(C(C)C)c(OCC[NH+](C)C)c1O.[Cl-]- InChIKey
IACUBOCVQRILQB-UHFFFAOYSA-N- Molecular formula
- C14H24ClNO2
- Average molar mass
- 273.8 g/mol
- Monoisotopic mass
- 273.1495567
Overview
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Names & identifiers
- Preferred name
- Carvacrol, 3-(2-(dimethylamino)ethoxy)-, hydrochloride
- IUPAC
- 2-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)ethyl-dimethylazanium chloride
- English name
- 2-(2-hydroxy-3-methyl-6-propan-2-yl-phenoxy)ethyl-dimethyl-azanium chl oride
- Molecular formula
- C14H23NO2.ClH
- Molecular weight
- 273.8
Names & synonyms
CARVACROL, 3-(2-(DIMETHYLAMINO)ETHOXY)-, HYDROCHLORIDEDeacetylthymoxamine HCl2-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)ethyl-dimethylazanium;chlorideDeacetylthymoxamine hydrochloride4-Dimethylaminoethoxy-5-isopropyl-2-methylphenol hydrochloride2-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)ethyl-dimethyl-azanium chlorideO-Demethyldeacetyldiltiazem hydrochlorideDeacetyl o-desmethyl diltiazem hydrochloride2-(2-hydroxy-3-methyl-6-propan-2-yl-phenoxy)ethyl-dimethyl-azanium chl oride
Database identifiers
- CAS
102281-01-6、93940-18-2- PubChem CID
- 59292
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 218
Related reactions
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Compound notes
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