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96155-99-6

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Basic Information
CAS No.: 96155-99-6
Name: 4,5-Dimethyl-3-(1-methylethyl)benzenamine
Article Data: 1
Molecular Structure:
Molecular Structure of 96155-99-6 (4,5-Dimethyl-3-(1-methylethyl)benzenamine)
Formula: C11H17N
Molecular Weight: 163.263
Synonyms: 4,5-Dimethyl-3-(1-methylethyl)benzenamine;3,4-Dimethyl-5-(1-Methylethyl) Benzenamine;
Density: 0.936 g/cm3
Melting Point: 75 °C
Boiling Point: 264.7 °C at 760 mmHg
Flash Point: 116.1 °C
PSA: 26.02000
LogP: 3.59020
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Specification

The CAS register number of 4,5-Dimethyl-3-(1-methylethyl)benzenamine is 96155-99-6. It also can be called as 3,4-Dimethyl-5-(1-Methylethyl) Benzenamine and the systematic name about this chemical is benzenamine, 3,4-dimethyl-5-(1-methylethyl)-. The molecular formula about this chemical is C11H17N and molecular weight is 163.26. It belongs to the Isopropyl.

Physical properties about 4,5-Dimethyl-3-(1-methylethyl)benzenamine are: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 3.01; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 102.88; (5)ACD/BCF (pH 7.4): 156.84; (6)ACD/KOC (pH 5.5): 849.52; (7)ACD/KOC (pH 7.4): 1295.05; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02Å2; (12)Index of Refraction: 1.535; (13)Molar Refractivity: 54.32 cm3; (14)Molar Volume: 174.3 cm3; (15)Polarizability: 21.53x10-24cm3; (16)Surface Tension: 34.8 dyne/cm; (17)Enthalpy of Vaporization: 50.26 kJ/mol; (18)Boiling Point: 264.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00954 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc(c1C)C(C)C)N
(2)InChI: InChI=1/C11H17N/c1-7(2)11-6-10(12)5-8(3)9(11)4/h5-7H,12H2,1-4H3
(3)InChIKey: CKEGSDFUJAYXTG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H17N/c1-7(2)11-6-10(12)5-8(3)9(11)4/h5-7H,12H2,1-4H3
(5)Std. InChIKey: CKEGSDFUJAYXTG-UHFFFAOYSA-N