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849928-42-3

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Basic Information
CAS No.: 849928-42-3
Name: 2-AMINO-1-(2-TRIFLUOROMETHYL-PHENYL)-ETHANOL HCL
Molecular Structure:
Molecular Structure of 849928-42-3 (2-AMINO-1-(2-TRIFLUOROMETHYL-PHENYL)-ETHANOL HCL)
Formula: C9H11ClF3NO
Molecular Weight: 241.64
Synonyms: 2-Hydroxy-2-[3-(trifluoromethyl)phenyl]ethanaminium chloride;2-Amino-1-(3-trifluoromethyl-phenyl)-ethanol HCl;α-Aminomethyl-m-trifluoromethylbenzyl alcohol hydrochloride;2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-ol hydrochloride;
Boiling Point: 277.9 °C at 760 mmHg
Flash Point: 121.9 °C
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 46.25000
LogP: 3.19980
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Specification

The Benzenemethanol, α-(aminomethyl)-2-(trifluoromethyl)-, hydrochloride (1:1), with the CAS registry number 849928-42-3, is also known as 2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-ol hydrochloride. This chemical's molecular formula is C9H11ClF3NO and molecular weight is 241.64. What's more, its systematic name is 2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanaminium chloride.

Physical properties of Benzenemethanol, α-(aminomethyl)-2-(trifluoromethyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.88; (4) ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.02; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Flash Point: 121.9 °C; (14)Enthalpy of Vaporization: 54.55 kJ/mol; (15)Boiling Point: 277.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00211 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].FC(F)(F)c1cccc(c1)C(O)C[NH3+]
(2)InChI: InChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13;/h1-4,8,14H,5,13H2;1H
(3)InChIKey: ULQSDBFSKLIUNU-UHFFFAOYSA-N