Basic information
- CAS
6924-25-0- Standard SMILES
CC(C)CNCC(O)c1ccc(O)c(O)c1- InChIKey
TXLFMUAEFKUGBZ-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- Win 5595
- IUPAC
- 4-[1-hydroxy-2-(2-methylpropylamino)ethyl]benzene-1,2-diol
Names & synonyms
WIN 5595BRN 27285126924-25-03,4-Dihydroxy-alpha-((isobutylamino)methyl)benzyl alcoholProtocatechuyl alcohol, alpha-(isobutylaminomethyl)-BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((ISOBUTYLAMINO)METHYL)-3-13-00-02388 (Beilstein Handbook Reference)RefChem:388389Isopropyladrenalin739301-51-0SCHEMBL48478074-[1-Hydroxy-2-(isobutylamino)ethyl]-1,2-benzenediol
Show more names
DTXSID509889604-{1-hydroxy-2-[(2-methylpropyl)amino]ethyl}benzene-1,2-diol4-{1-Hydroxy-2-[(2-methylpropyl)amino]ethyl}benzene-1,2-diolato
Database identifiers
- CAS
6924-25-0- PubChem CID
- 23355
- DTXSID
DTXSID50988960
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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