2-(3-(2-(Dimethylamino)ethoxy)phenyl)acetic acid
Basic information
- CAS
1247124-18-0- Standard SMILES
CN(C)CCOc1cccc(CC(=O)O)c1- InChIKey
LWIXUAUAJKFCCX-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- 2-(3-(2-(Dimethylamino)ethoxy)phenyl)acetic acid
- IUPAC
- 2-[3-[2-(dimethylamino)ethoxy]phenyl]acetic acid
Names & synonyms
2-{3-[2-(dimethylamino)ethoxy]phenyl}acetic acid1247124-18-02-[3-[2-(dimethylamino)ethoxy]phenyl]acetic acid2-(3-(2-(Dimethylamino)ethoxy)phenyl)acetic acidRefChem:454868851-674-5SCHEMBL26731059AKOS010658047EN300-1154332-{3-[2-(dimethylamino)ethoxy]phenyl}aceticacid
Database identifiers
- CAS
1247124-18-0- PubChem CID
- 61398244
- EC Number
- 851-674-5
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
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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