Basic information
- CAS
875444-02-3- Standard SMILES
CC(N)C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
DXIHDYCFZWJHIQ-UHFFFAOYSA-N- Molecular formula
- C11H11F6NO
- Average molar mass
- 287.2 g/mol
- Monoisotopic mass
- 287.07448295
Names & identifiers
- Preferred name
- 2-Amino-1-(3,5-bis(trifluoromethyl)phenyl)propan-1-ol
- IUPAC
- 2-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
- English name
- (1R,2S)-1-(3,5-bis(trifluoroMethyl)phenyl)-2-aMinopropan-1-ol
- Molecular formula
- C11H11F6NO
- Molecular weight
- 287.2
Names & synonyms
875444-02-32-Amino-1-(3,5-bis(trifluoromethyl)phenyl)propan-1-olalpha-(1-Aminoethyl)-3,5-bis(trifluoromethyl)benzenemethanol(1r,2s)-1-(3,5-bis(trifluoromethyl)phenyl)-2-aminopropan-1-ol2-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-1-olSCHEMBL531415DXIHDYCFZWJHIQ-UHFFFAOYSA-NAKOS020233453SB18493CS-0457695F13977Benzenemethanol, a-(1-aminoethyl)-3,5-bis(trifluoromethyl)-
Show more names
Benzenemethanol, α-(1-aminoethyl)-3,5-bis(trifluoromethyl)-(1R,2S)-2-aMino-1-(3,5-bis(trifluoroMethyl)phenyl)propan-1-ol
Database identifiers
- CAS
875444-02-3- PubChem CID
- 59135216
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 259.909 · 259.909±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.624 · 11.624±0.45(predicted)
Chemistry & industry
Suppliers10 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海美升医药科技有限公司18501708306; 18501708306 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
上海正钇医药科技有限公司17740884366 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
Richest Group Ltd18017061086 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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