methyl (3R)-3-amino-3-(2-ethoxyphenyl)propanoate hydrochloride
Basic information
- CAS
1306728-63-1- Standard SMILES
CCOc1ccccc1[C@H](N)CC(=O)OC.Cl- InChIKey
WTBZOHYJGNLMEQ-HNCPQSOCSA-N- Molecular formula
- C12H18ClNO3
- Average molar mass
- 259.73 g/mol
- Monoisotopic mass
- 259.0975211
Names & identifiers
- Preferred name
- methyl (3R)-3-amino-3-(2-ethoxyphenyl)propanoate hydrochloride
- IUPAC
- methyl (3R)-3-amino-3-(2-ethoxyphenyl)propanoate;hydrochloride
Names & synonyms
methyl (3R)-3-amino-3-(2-ethoxyphenyl)propanoate hydrochloride1306728-63-1RefChem:812269100-244-9methyl (3R)-3-amino-3-(2-ethoxyphenyl)propanoate;hydrochlorideCS-0261169EN300-77418methyl(3R)-3-amino-3-(2-ethoxyphenyl)propanoatehydrochloride
Database identifiers
- CAS
1306728-63-1- PubChem CID
- 54593403
- EC Number
- 100-244-9
Properties
Computed structural properties
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
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, P319, P321, P330, P332+P317, P337+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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