Basic information
- CAS
340188-50-3- Standard SMILES
CCOC(=O)C[C@@H](N)c1ccccc1.Cl- InChIKey
ATSZQDTVNRNXKB-HNCPQSOCSA-N- Molecular formula
- C11H16ClNO2
- Average molar mass
- 229.7 g/mol
Names & identifiers
- Preferred name
- ethyl (3R)-3-amino-3-phenylpropanoate hydrochloride
- IUPAC
- ethyl (3R)-3-amino-3-phenylpropanoate;hydrochloride
Names & synonyms
ethyl (3R)-3-amino-3-phenylpropanoate hydrochlorideRefChem:593093973-411-4340188-50-3(R)-Ethyl 3-amino-3-phenylpropanoate hydrochloride(R)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride(R)-3-Amino-3-phenylpropanoic acid ethyl ester HClMFCD02259750ethyl (r)-3-amino-3-phenylpropanoate hydrochlorideBenzenepropanoic acid, b-amino-, ethyl ester, hydrochloride, (bR)-ethyl (3R)-3-amino-3-phenylpropanoate;hydrochloride(3R)-3-amino-3-phenylpropanoic acid ethyl ester HCl
Show more names
(R)-b-Amino-benzenepropanoic acid ethyl ester hydrochlorideSCHEMBL1144489ATSZQDTVNRNXKB-HNCPQSOCSA-NAKOS015889702AC-5694AS-14342CS-0298797EN300-106465
Database identifiers
- CAS
340188-50-3- PubChem CID
- 2734508
- EC Number
- 973-411-4
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 176
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, 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)
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
4 records
Compound notes
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