4-Hydroxyphenylisopropylarterenol
Basic information
- CAS
2549-15-7- Standard SMILES
CC(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(O)c1- InChIKey
IBCZJCQDLOHBPI-UHFFFAOYSA-N- Molecular formula
- C17H21NO4
- Average molar mass
- 303.35 g/mol
- Monoisotopic mass
- 303.14705815
Names & identifiers
- Preferred name
- 4-Hydroxyphenylisopropylarterenol
- IUPAC
- 4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,2-diol
- English name
- 4-hydroxyphenylisopropylarterenol
- Molecular formula
- C17H21NO4
- Molecular weight
- 303.35
Names & synonyms
4-Hydroxyphenylisopropylarterenol2549-15-7para-Hydroxyphenylisopropylarterenolp-Hydroxyphenylisopropylnorepinephrine4-(1-Hydroxy-2-((2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)-1,2-benzenediolRefChem:99389cc-254-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,2-diolCc-25,(+/-)SCHEMBL2455273SCHEMBL8986831CHEMBL1906949
Show more names
1,2-Benzenediol, 4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-
SCHEMBL29899656BDBM81449DTXSID30948380CC 25PDSP1_000155PDSP2_000154CAS_193350NSC_193350
Database identifiers
- CAS
2549-15-7- PubChem CID
- 193350
- DTXSID
DTXSID30948380- ChEMBL
CHEMBL1906949
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 167 · 167-167.5 °C
- Boiling point
- 566 · 566.0±45.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- pka
- 9.59 · 9.59±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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