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CAS No.: | 1003708-27-7 |
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Name: | 4-AMINO-2,6-DIETHYLBENZONITRILE |
Molecular Structure: | |
Formula: | C11H14N2 |
Molecular Weight: | 174.24 |
Synonyms: | 4-Amino-2,6-diethyl benzonitrile;Benzonitrile,4-amino-2,6-diethyl; |
EINECS: | 1312995-182-4 |
Density: | 1.034 g/cm3 |
Boiling Point: | 309.56 °C at 760 mmHg |
Flash Point: | 141.017 °C |
PSA: | 49.81000 |
LogP: | 2.84648 |
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The 4-Amino-2,6-diethylbenzonitrile, with the CAS registry number 1003708-27-7, is also known as Benzonitrile, 4-amino-2,6-diethyl-. This chemical's molecular formula is C11H14N2 and molecular weight is 174.24. What's more, its systematic name is 4-Amino-2,6-diethylbenzonitrile.
Physical properties of 4-Amino-2,6-diethylbenzonitrile are: (1)ACD/LogP: 3.056; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 123.67; (6)ACD/BCF (pH 7.4): 123.71; (7)ACD/KOC (pH 5.5): 1094.49; (8)ACD/KOC (pH 7.4): 1094.83; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.81 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 53.446 cm3; (15)Molar Volume: 168.55 cm3; (16)Polarizability: 21.188×10-24cm3; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.034 g/cm3; (19)Flash Point: 141.017 °C; (20)Enthalpy of Vaporization: 55.033 kJ/mol; (21)Boiling Point: 309.56 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCc1cc(cc(c1C#N)CC)N
(2)Std. InChI: InChI=1S/C11H14N2/c1-3-8-5-10(13)6-9(4-2)11(8)7-12/h5-6H,3-4,13H2,1-2H3
(3)Std. InChIKey: MEBZCJQSHLJQPC-UHFFFAOYSA-N