Basic information
- CAS
72732-50-4- Standard SMILES
CNCCOc1cc(C)c(O)cc1C(C)C- InChIKey
GOHVWKGLNUZCRK-UHFFFAOYSA-N- Molecular formula
- C13H21NO2
- Average molar mass
- 223.31 g/mol
- Monoisotopic mass
- 223.15722891
Names & identifiers
- Preferred name
- 2-Methyl-4-(2-(methylamino)ethoxy)-5-(1-methylethyl)phenol
- IUPAC
- 2-methyl-4-[2-(methylamino)ethoxy]-5-propan-2-ylphenol
- English name
- demethyldeacetylmoxisylyte
- Molecular formula
- C13H21NO2
- Molecular weight
- 223.31134
Names & synonyms
Demethyldeacetylmoxisylyte72732-50-4DTXSID60223031Phenol, 2-methyl-4-(2-(methylamino)ethoxy)-5-(1-methylethyl)-, 9-cis-RefChem:910057DTXCID601455222-Methyl-4-(2-(methylamino)ethoxy)-5-(1-methylethyl)phenol2-methyl-4-[2-(methylamino)ethoxy]-5-propan-2-ylphenol(2-(4-Hydroxy-2-isopropyl-5-methylphenoxy)ethyl)methylamine5-Isopropyl-2-methyl-4-(2-(methylamino)ethoxy)phenolDeacetyldemethylthymoxamineBRN 2449770
Show more names
Phenol,2-methyl-4-[2-(methylamino)ethoxy]-5-(1-methylethyl)-
Phenol, 2-methyl-4-(2-(methylamino)ethoxy)-5-isopropyl-starbld0001978Phenol, 2-methyl-4-(2-(methylamino)ethoxy)-5-(1-methylethyl)-CARVACROL, 5-(2-(METHYLAMINO)ETHOXY)-orb1986144SCHEMBL89615372-methyl-4-[2-(methylamino)ethoxy]-5-(propan-2-yl)phenolAKOS040751526
Database identifiers
- CAS
72732-50-4- PubChem CID
- 51678
- DTXSID
DTXSID60223031
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
LogP2.35
Physicochemical properties
- Boiling point
- 364.61 °C · 364.61°C (rough estimate)
- Density
- 1.0219 · 1.0219 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
Chemistry & industry
Suppliers2 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
2 records
Compound notes
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