Basic information
- CAS
102281-02-7- Standard SMILES
C[NH2+]CCOc1cc(C)c(O)cc1C(C)C.[Cl-]- InChIKey
UMAVFWSONMWVPX-UHFFFAOYSA-N- Molecular formula
- C13H22ClNO2
- Average molar mass
- 259.77 g/mol
- Monoisotopic mass
- 259.1339066
Names & identifiers
- Preferred name
- Carvacrol, 3-(2-(methylamino)ethoxy)-, hydrochloride
- IUPAC
- 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-methylazanium chloride
Names & synonyms
Demethyldeacetylthymoxamine hydrochlorideCARVACROL, 3-(2-(METHYLAMINO)ETHOXY)-, HYDROCHLORIDE5-Isopropyl-2-methyl-4-methylaminoethoxyphenol hydrochloride102281-02-7RefChem:333579
Database identifiers
- CAS
102281-02-7、52093-87-5- PubChem CID
- 59294
Properties
Computed structural properties
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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