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CAS No.: | 1112179-28-8 |
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Name: | (4-fluoro-3-isopropylphenyl)methanamine hydrochloride |
Molecular Structure: | |
Formula: | C10H14FN |
Molecular Weight: | 167.2233 |
Synonyms: | (4-Fluoro-3-isopropyl-phenyl)methanamine; |
Density: | 1.021 g/cm3 |
Boiling Point: | 222.257 °C at 760 mmHg |
Flash Point: | 98.163 °C |
PSA: | 26.02000 |
LogP: | 3.10810 |
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The (4-Fluoro-3-isopropylphenyl)methanamine has CAS registry number 1112179-28-8. This chemical's molecular formula is C10H14FN and molecular weight is 167.2233. What's more, its systematic name is (4-Fluoro-3-isopropyl-phenyl)methanamine.
Physical properties about (4-Fluoro-3-isopropylphenyl)methanamine are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.251; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.108; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 20.126; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.509; (13)Molar Refractivity: 48.883 cm3; (14)Molar Volume: 163.703 cm3; (15)Polarizability: 19.379×10-24 cm3; (16)Surface Tension: 33.995 dyne/cm; (17)Density: 1.021 g/cm3; (18)Flash Point: 98.163 °C; (19)Enthalpy of Vaporization: 45.872 kJ/mol; (20)Boiling Point: 222.257 °C at 760 mmHg; (21)Vapour Pressure: 0.103 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)c1cc(ccc1F)CN
(2) InChI: InChI=1/C10H14FN/c1-7(2)9-5-8(6-12)3-4-10(9)11/h3-5,7H,6,12H2,1-2H3
(3) InChIKey: AIYMDQHZXUSGRO-UHFFFAOYAM