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326010-95-1

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Basic Information
CAS No.: 326010-95-1
Name: 3-Amino-1,1,1-trifluoro-5-methylhexan-2-ol
Molecular Structure:
Molecular Structure of 326010-95-1 (3-Amino-1,1,1-trifluoro-5-methylhexan-2-ol)
Formula: C7H14F3NO
Molecular Weight: 185.1873696
Synonyms: 3-amino-1,1,1-trifluoro-5-methyl-2-Hexanol;3-AMINO-1,1,1-TRIFLUORO-5-METHYLHEXAN-2-OL
Density: 1.137 g/cm3
Boiling Point: 231.8 °C at 760 mmHg
Flash Point: 94 °C
PSA: 0.00000
LogP: 0.00000
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Specification

The 3-Amino-1, 1, 1-trifluoro-5-methylhexan-2-ol has CAS registry number 326010-95-1. This chemical's molecular formula is C7H14F3NO and molecular weight is 185.1873696. What's more, its systematic name is 3-Amino-1, 1, 1-trifluoro-5-methylhexan-2-ol.

Physical properties about 3-Amino-1, 1, 1-trifluoro-5-methylhexan-2-ol are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 16.91; (7)ACD/KOC (pH 5.5): 4.94; (8)ACD/KOC (pH 7.4): 207.58; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.404; (14)Molar Refractivity: 39.88 cm3; (15)Molar Volume: 162.7 cm3; (16)Polarizability: 15.81×10-24 cm3; (17)Surface Tension: 27.3 dyne/cm; (18)Density: 1.137 g/cm3; (19)Flash Point: 94 °C; (20)Enthalpy of Vaporization: 54.46 kJ/mol; (21)Boiling Point: 231.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0115 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C(O)C(N)CC(C)C
(2) InChI: InChI=1/C7H14F3NO/c1-4(2)3-5(11)6(12)7(8,9)10/h4-6,12H,3,11H2,1-2H3
(3) InChIKey: WZSHMIPUSYLNSA-UHFFFAOYAK