Basic information
- CAS
1468899-79-7- Standard SMILES
NCC(CCO)c1ccc(C(F)(F)F)cc1- InChIKey
PETOTKQNMZNSBN-UHFFFAOYSA-N- Molecular formula
- C11H14F3NO
- Average molar mass
- 233.23 g/mol
- Monoisotopic mass
- 233.10274856
Names & identifiers
- Preferred name
- 4-Amino-3-(4-(trifluoromethyl)phenyl)butan-1-ol
- IUPAC
- 4-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol
Names & synonyms
4-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol1468899-79-74-Amino-3-(4-(trifluoromethyl)phenyl)butan-1-olRefChem:517753833-970-6SCHEMBL28855333AKOS015156745EN300-6740024
Database identifiers
- CAS
1468899-79-7- PubChem CID
- 65815519
- EC Number
- 833-970-6
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 2 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
0 records
No reaction records under the current filter.
Compound notes
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