Methyl 3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochloride
Completing data — refresh the page later to see the latest
Basic information
- CAS
1354951-67-9- Standard SMILES
COC(=O)CC(N)c1cccc(C(F)(F)F)c1.Cl- InChIKey
DGWMURZHACRUMX-UHFFFAOYSA-N- Molecular formula
- C11H13ClF3NO2
- Average molar mass
- 283.67 g/mol
- Monoisotopic mass
- 283.0586908
Names & identifiers
- Preferred name
- Methyl 3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochloride
- IUPAC
- methyl 3-amino-3-[3-(trifluoromethyl)phenyl]propanoate;hydrochloride
- English name
- methyl 3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochloride salt
- Molecular formula
- C11H13ClF3NO2
- Molecular weight
- 283.68
Names & synonyms
1354951-67-9methyl 3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochlorideMethyl 3-amino-3-(3-(trifluoromethyl)phenyl)propanoate hydrochloridemethyl 3-amino-3-[3-(trifluoromethyl)phenyl]propanoate;hydrochlorideSCHEMBL19283461SCHEMBL29462417DGWMURZHACRUMX-UHFFFAOYSA-NEEC97082DB-158378CS-0263160EN300-85379Z1258620057
Show more names
methyl 3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochloride salt
methyl3-amino-3-[3-(trifluoromethyl)phenyl]propanoatehydrochloride
Database identifiers
- CAS
1354951-67-9- PubChem CID
- 54595147
- EC Number
- 141-845-6
Properties
Computed structural propertiesFilling in
- 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+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2918999090 · 2918999090
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
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…