Basic information
- CAS
52336-50-2- Standard SMILES
Cc1cc(O)c(CC(C)N)cc1O- InChIKey
ISJCIACBPBDNKH-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Overview
RN given refers to parent cpd without isomeric designation; structure
Names & identifiers
- Preferred name
- 1-(2,5-Dihydroxy-4-methylphenyl)-2-aminopropane
- IUPAC
- 2-(2-aminopropyl)-5-methylbenzene-1,4-diol
- English name
- 1-(2,5-dihydroxy-4-methylphenyl)-2-aminopropane
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
52336-50-21-(2,5-Dihydroxy-4-methylphenyl)-2-aminopropane2-(2-Aminopropyl)-5-methyl-1,4-benzenediolRefChem:740022-(2-aminopropyl)-5-methylbenzene-1,4-diolCHEMBL3247439SCHEMBL14318836DTXSID60966719DB-2905571,4-Benzenediol, 2-(2-aminopropyl)-5-methyl-
Database identifiers
- CAS
52336-50-2- PubChem CID
- 148574
- DTXSID
DTXSID60966719- ChEMBL
CHEMBL3247439
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 145 °C · 145 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 359.1 · 359.1±37.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 10.92 · 10.92±0.48(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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