Basic information
- CAS
524730-42-5- Standard SMILES
CC(C)c1ccccc1OCC(O)CN- InChIKey
HIGYZZYUTJWRJR-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
- Monoisotopic mass
- 209.14157885
Names & identifiers
- Preferred name
- 1-Amino-3-(2-isopropyl-phenoxy)-propan-2-ol
- IUPAC
- 1-amino-3-(2-propan-2-ylphenoxy)propan-2-ol
- English name
- 1-amino-3-(2-isopropylphenoxy)propan-2-ol
- Molecular formula
- C12H19NO2
- Molecular weight
- 209.28
Names & synonyms
1-Amino-3-(2-isopropyl-phenoxy)-propan-2-ol524730-42-51-amino-3-(2-isopropylphenoxy)propan-2-ol1-amino-3-(2-propan-2-ylphenoxy)propan-2-ol1-amino-3-[2-(propan-2-yl)phenoxy]propan-2-olOprea1_593383SCHEMBL9066099ZVA73042SBB011229AKOS000141539AKOS016045801CS-0241936
Show more names
2-Propanol, 1-amino-3-[2-(1-methylethyl)phenoxy]-
EN300-241944G260553-amino-1-[2-(methylethyl)phenoxy]propan-2-ol
Database identifiers
- CAS
524730-42-5- PubChem CID
- 2770891
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 356.1 · 356.1±37.0 °C(Predicted)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- pka
- 11.94 · 11.94±0.35(Predicted)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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