5-(2-Aminoethyl)-2,3-dimethoxyphenol hydrochloride
Basic information
- CAS
13062-71-0- Standard SMILES
COc1cc(CCN)cc(O)c1OC.Cl- InChIKey
DLUXEWKHHXDDSV-UHFFFAOYSA-N- Molecular formula
- C10H16ClNO3
- Average molar mass
- 233.69 g/mol
- Monoisotopic mass
- 233.0818711
Names & identifiers
- Preferred name
- 5-(2-Aminoethyl)-2,3-dimethoxyphenol hydrochloride
- IUPAC
- 5-(2-aminoethyl)-2,3-dimethoxyphenol;hydrochloride
Names & synonyms
13062-71-05-(2-aminoethyl)-2,3-dimethoxyphenol hydrochlorideRefChem:529261884-393-15-(2-aminoethyl)-2,3-dimethoxyphenolhydrochlorideCHEMBL504787EN300-10006089
Database identifiers
- CAS
13062-71-0- PubChem CID
- 44559360
- ChEMBL
CHEMBL504787- EC Number
- 884-393-1
Properties
Computed structural properties
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 165
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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