2-Hydroxydopamine
Basic information
- CAS
4228-71-1- Standard SMILES
NCCc1ccc(O)c(O)c1O- InChIKey
WYYIHCWISNZQQY-UHFFFAOYSA-N- Molecular formula
- C8H11NO3
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.07389321
Overview
4-(2-aminoethyl)benzene-1,2,3-triol is a catecholamine.
Names & identifiers
- Preferred name
- 2-Hydroxydopamine
- IUPAC
- 4-(2-aminoethyl)benzene-1,2,3-triol
- English name
- 2-hydroxydopamine
- Molecular weight
- 0
Names & synonyms
2-Hydroxydopamine4228-71-11,2,3-Benzenetriol, 4-(2-aminoethyl)-DTXSID80195105RefChem:87521DTXCID501175964-(2-aminoethyl)benzene-1,2,3-triolAminoathylpyrogallolSCHEMBL5463172CHEBI:125591AKOS006290660EN300-1859506
Show more names
BRD-K56621596-001-01-9Q27216206
Database identifiers
- CAS
4228-71-1- PubChem CID
- 193386
- DTXSID
DTXSID80195105- ChEBI
CHEBI:125591- EC Number
- 992-401-0
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Additional notes
DefinitionChEBI: 4-(2-aminoethyl)benzene-1,2,3-triol is a catecholamine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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