Basic information
- CAS
2039-62-5- Standard SMILES
NCCc1ccc(O)cc1O- InChIKey
URFGSZVXJZMYHZ-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Overview
4-(2-aminoethyl)benzene-1,3-diol is a primary amine.
Names & identifiers
- Preferred name
- 2,4-Dihydroxyphenylethylamine
- IUPAC
- 4-(2-aminoethyl)benzene-1,3-diol
- English name
- 2,4-dihydroxyphenylethylamine
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
2039-62-52,4-DihydroxyphenylethylamineRefChem:824674-(2-aminoethyl)benzene-1,3-diol2,4-dihydroxyphenethylamine1,3-Benzenediol, 4-(2-aminoethyl)-2-hydroxytyramineSCHEMBL632515SCHEMBL29465001DTXSID20942559CHEBI:125570SBB085145
Show more names
AKOS0001613574-(2-Aminoethyl)benzene-1,3-diolatobenzene, 1-(2-aminoethyl)-2,4-dihydroxy-EN300-148035BRD-K49612115-001-01-0Q27216184
Database identifiers
- CAS
2039-62-5- PubChem CID
- 150962
- DTXSID
DTXSID20942559- ChEBI
CHEBI:125570- Nikkaji
- J550.546A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 338.2 · 338.2±11.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 9.11 · 9.11±0.40(Predicted)
Chemistry & industry
Applications
Uses2,4-Dihydroxyphenethylamine is used to study orepinephrine uptake in cardiac tissues.
Suppliers2 total
BOC Sciences16314854226; +8616314854226 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
Additional notes
DefinitionChEBI: 4-(2-aminoethyl)benzene-1,3-diol is a primary amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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