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CAS No.: | 133492-65-6 |
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Name: | Benzenemethanamine, 2,4-dichloro-a-methyl- |
Molecular Structure: | |
Formula: | C8H9Cl2N |
Molecular Weight: | 190.0698 |
Synonyms: | Benzylamine, 2,4-dichloro-a-methyl- (7CI);2,4-Dichloro-a-methylbenzenemethanamine; |
Density: | 1.262g/cm3 |
Boiling Point: | 256.4 °C at 760 mmHg |
Flash Point: | 108.8 °C |
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The Benzenemethanamine, 2,4-dichloro-a-methyl-, with CAS registry number 133492-65-6, has the systematic name of 1-(2,4-dichlorophenyl)ethanamine. Besides this, it is also called 2,4-Dichloro-α-phenylethylamine. And the chemical formula of this chemical is C8H9Cl2N.
Physical properties of Benzenemethanamine, 2,4-dichloro-a-methyl-: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 14.22; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 49.13 cm3; (15)Molar Volume: 150.5 cm3; (16)Polarizability: 19.47×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 108.8 °C; (20)Enthalpy of Vaporization: 49.39 kJ/mol; (21)Boiling Point: 256.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0155 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1C(N)C
(2)InChI: InChI=1/C8H9Cl2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3
(3)InChIKey: OUVZHZAOWDHBOU-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H9Cl2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3
(5)Std. InChIKey: OUVZHZAOWDHBOU-UHFFFAOYSA-N