Basic information
- CAS
1354970-82-3- Standard SMILES
COC(=O)C[C@@H](N)c1cccc(C(F)(F)F)c1.Cl- InChIKey
DGWMURZHACRUMX-SBSPUUFOSA-N- Molecular formula
- C11H13ClF3NO2
- Average molar mass
- 283.67 g/mol
- Monoisotopic mass
- 283.0586908
Names & identifiers
- Preferred name
- methyl (3R)-3-amino-3-(3-(trifluoromethyl)phenyl)propanoate hydrochloride
- IUPAC
- methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate;hydrochloride
- English name
- METHYL (3R)-3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOATE HYDROCHLORIDE
- Molecular formula
- C11H13ClF3NO2
- Molecular weight
- 283.68
Names & synonyms
methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochloridemethyl (3R)-3-amino-3-(3-(trifluoromethyl)phenyl)propanoate hydrochlorideRefChem:812271984-203-81354970-82-3methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate;hydrochlorideMethyl (R)-3-amino-3-(3-(trifluoromethyl)phenyl)propanoate hydrochlorideMFCD20501995DTXSID101378708Methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate HClCS-0217880EN300-92137
Show more names
(R)-3-Amino-3-(3-trifluoromethyl-phenyl)-propionic acid methyl ester hydrochloride
N13085F641171Z1297773504METHYL(3R)-3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOATE HCLMETHYL(3R)-3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOATEHCLBenzenepropanoic acid, I(2)-amino-3-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (I(2)R)-
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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