2-(((3-Fluorophenyl)methyl)amino)propanoic acid hydrochloride
Basic information
- CAS
1396962-19-8- Standard SMILES
CC(NCc1cccc(F)c1)C(=O)O.Cl- InChIKey
HMKHNQRLIWCIHH-UHFFFAOYSA-N- Molecular formula
- C10H13ClFNO2
- Average molar mass
- 233.67 g/mol
- Monoisotopic mass
- 233.0618845
Names & identifiers
- Preferred name
- 2-(((3-Fluorophenyl)methyl)amino)propanoic acid hydrochloride
- IUPAC
- 2-[(3-fluorophenyl)methylamino]propanoic acid;hydrochloride
- English name
- 2-{[(3-fluorophenyl)methyl]amino}propanoic acid hydrochloride
- Molecular formula
- C10H13ClFNO2
- Molecular weight
- 233.67
Names & synonyms
2-{[(3-fluorophenyl)methyl]amino}propanoic acid hydrochloride1396962-19-82-(((3-Fluorophenyl)methyl)amino)propanoic acid hydrochlorideRefChem:446808100-515-12-[(3-fluorophenyl)methylamino]propanoic acid;hydrochlorideWFC96219AKOS008090829EN300-42235Z4260416342-{[(3-fluorophenyl)methyl]amino}propanoicacidhydrochloride
Database identifiers
- CAS
1396962-19-8- PubChem CID
- 42935481
- EC Number
- 100-515-1
Properties
Computed structural properties
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…