(2S)-1,1,1-trifluorobutan-2-amine hydrochloride
Basic information
- CAS
101054-96-0- Standard SMILES
CC[C@H](N)C(F)(F)F.Cl- InChIKey
BPUMYAARUOVRFP-DFWYDOINSA-N- Molecular formula
- C4H9ClF3N
- Average molar mass
- 163.57 g/mol
- Monoisotopic mass
- 163.0375615
Names & identifiers
- Preferred name
- (2S)-1,1,1-trifluorobutan-2-amine hydrochloride
- IUPAC
- (2S)-1,1,1-trifluorobutan-2-amine;hydrochloride
- English name
- (S)-1,1,1-Trifluoro-2-butylaMine
- Molecular formula
- C4H9ClF3N
- Molecular weight
- 163.57
Names & synonyms
(2S)-1,1,1-trifluorobutan-2-amine hydrochloride2-Butanamine, 1,1,1-trifluoro-, hydrochloride, (S)-RefChem:397712982-766-4101054-96-0(S)-1,1,1-Trifluoro-2-butylamine hydrochlorideMFCD22380042(2S)-1,1,1-trifluorobutan-2-amine;hydrochlorideSCHEMBL19714082DTXSID20545201BPUMYAARUOVRFP-DFWYDOINSA-NBEA05496
Show more names
(2S)-1,1,1-trifluoromethylpropan-2-amine hydrochloride
(S)-1,1,1-Trifluoro-2-butylamineAKOS026671399AT21558AS-83410SY159660CS-0236730EN300-172480(S)-1,1,1-Trifluoro-2-butylaminehydrochloride
Database identifiers
- CAS
101054-96-0- PubChem CID
- 13620733
- DTXSID
DTXSID20545201- EC Number
- 982-766-4
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 68.2
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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