Basic information
- CAS
3489-96-1- Standard SMILES
CNCC(O)c1cc(OC)ccc1OC- InChIKey
AFGIOLGUENMUPF-UHFFFAOYSA-N- Molecular formula
- C11H17NO3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.1208434
Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxyphenyl)-2-(methylamino)ethanol
- IUPAC
- 1-(2,5-dimethoxyphenyl)-2-(methylamino)ethanol
Names & synonyms
3489-96-11-(2,5-dimethoxyphenyl)-2-(methylamino)ethanol1-(2,5-dimethoxyphenyl)-2-(methylamino)ethan-1-olMFCD09901442CHEMBL87015AKOS010126270NS-023731-(2,5-dimethoxyphenyl)-2-methylaminoethanolEN300-1869906
Database identifiers
- CAS
3489-96-1- PubChem CID
- 46244
- ChEMBL
CHEMBL87015- EC Number
- 169-696-2
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 177
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, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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