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2,4-Dimethyl-3-(1-methylethyl)benzenamine

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Name

2,4-Dimethyl-3-(1-methylethyl)benzenamine

EINECS N/A
CAS No. 91339-19-4 Density 0.936 g/cm3
PSA 26.02000 LogP 3.59020
Solubility N/A Melting Point N/A
Formula C11H17N Boiling Point 261.5 °C at 760 mmHg
Molecular Weight 163.263 Flash Point 113.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 91339-19-4 (Benzenamine,2,4-dimethyl-5-(1-methylethyl)-) Hazard Symbols N/A
Synonyms

2,4-Xylidine,5-isopropyl- (7CI);2,4-Dimethyl-3-(1-methylethyl)benzenamine;

 

2,4-Dimethyl-3-(1-methylethyl)benzenamine Specification

The CAS register number of 2,4-Dimethyl-3-(1-methylethyl)benzenamine is 91339-19-4. It also can be called as 3-Isopropyl-2,4-dimethylaniline and the systematic name about this chemical is benzenamine, 2,4-dimethyl-3-(1-methylethyl)-. The molecular formula about this chemical is C11H17N and molecular weight is 163.26. It belongs to the Isopropyl.

Physical properties about 2,4-Dimethyl-3-(1-methylethyl)benzenamine are: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 3.09; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 122.61; (5)ACD/BCF (pH 7.4): 157.33; (6)ACD/KOC (pH 5.5): 1012.41; (7)ACD/KOC (pH 7.4): 1299.07; (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: 49.93 kJ/mol; (18)Boiling Point: 261.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(c(c1C(C)C)C)N
(2)InChI: InChI=1/C11H17N/c1-7(2)11-8(3)5-6-10(12)9(11)4/h5-7H,12H2,1-4H3
(3)InChIKey: CMDZIGLARHVLQQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H17N/c1-7(2)11-8(3)5-6-10(12)9(11)4/h5-7H,12H2,1-4H3
(5)Std. InChIKey: CMDZIGLARHVLQQ-UHFFFAOYSA-N

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