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Benzenamine,N-(1-ethylpropyl)-3,4-dimethyl- (56038-89-2)

Identification
Name:Benzenamine,N-(1-ethylpropyl)-3,4-dimethyl-
Synonyms:N-(1-Ethylpropyl)-3,4-dimethylaniline;N-(1-Ethylpropyl)-3,4-xylidine;
CAS:56038-89-2
Molecular Formula: C13H21N
Molecular Weight: 191.31
InChI: InChI=1/C13H21N/c1-5-12(6-2)14-13-8-7-10(3)11(4)9-13/h7-9,12,14H,5-6H2,1-4H3
Molecular Structure: (C13H21N) N-(1-Ethylpropyl)-3,4-dimethylaniline;N-(1-Ethylpropyl)-3,4-xylidine;
Properties
Density:0.92 g/cm3
Refractive index:1.528
Appearance:Red-brown to brown liquid
Specification:

The CAS register number of N-(1-Ethylpropyl)-3,4-dimethylaniline is 56038-89-2. It also can be called as Benzenamine,N-(1-ethylpropyl)-3,4-dimethyl- and the IUPAC name about this chemical is 3,4-dimethyl-N-pentan-3-ylaniline. The molecular formula about this chemical is C13H21N and molecular weight is 191.31. 

Physical properties about N-(1-Ethylpropyl)-3,4-dimethylaniline are: (1)ACD/LogP: 4.46; (2)ACD/LogD (pH 5.5): 3.76; (3)ACD/LogD (pH 7.4): 4.44; (4)ACD/BCF (pH 5.5): 286.03; (5)ACD/BCF (pH 7.4): 1366.22; (6)ACD/KOC (pH 5.5): 1261.02; (7)ACD/KOC (pH 7.4): 6023.26; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 3.24Å2; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 64 cm3; (14)Molar Volume: 207.8 cm3; (15)Polarizability: 25.37x10-24cm3; (16)Surface Tension: 32.9 dyne/cm; (17)Enthalpy of Vaporization: 52.95 kJ/mol; (18)Boiling Point: 290.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0021 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1cc(c(cc1)C)C)C(CC)CC
(2)InChI: InChI=1/C13H21N/c1-5-12(6-2)14-13-8-7-10(3)11(4)9-13/h7-9,12,14H,5-6H2,1-4H3
(3)InChIKey: ZOTRFGNOTDLOAU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C13H21N/c1-5-12(6-2)14-13-8-7-10(3)11(4)9-13/h7-9,12,14H,5-6H2,1-4H3
(5)Std. InChIKey: ZOTRFGNOTDLOAU-UHFFFAOYSA-N

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