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Name |
Propanenitrile, 3-[(1,1,3,3-tetramethylbutyl)amino]- |
EINECS | N/A |
CAS No. | 86375-28-2 | Density | 0.858 g/cm3 |
PSA | 35.82000 | LogP | 3.09538 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H22N2 | Boiling Point | 268.7 °C at 760 mmHg |
Molecular Weight | 182.309 | Flash Point | 116.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Propionitrile, 3-(1,1,3,3-tetramethylbutylamino)- (6CI);3-(t-Octylamino)propionitrile;3-[(1,1,3,3-Tetramethylbutyl)amino]propanenitrile;3-[(2,4,4-Trimethylpentan-2-yl)amino]propanenitrile;3-(tert-Octylamino)propionitrile; |
The Propanenitrile, 3-[(1,1,3,3-tetramethylbutyl)amino]-, with the CAS registry number 86375-28-2, is also known as 3-(t-Octylamino)propionitrile. This chemical's molecular formula is C11H22N2 and molecular weight is 182.31. What's more, its systematic name is 3-[(2,4,4-trimethylpentan-2-yl)amino]propanenitrile.
Physical properties of Propanenitrile, 3-[(1,1,3,3-tetramethylbutyl)amino]- are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.57; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.9; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 25.77; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 56.45 cm3; (15)Molar Volume: 212.4 cm3; (16)Polarizability: 22.37×10-24cm3; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 0.858 g/cm3; (19)Flash Point: 116.3 °C; (20)Enthalpy of Vaporization: 50.68 kJ/mol; (21)Boiling Point: 268.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00755 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNC(CC(C)(C)C)(C)C
(2)InChI: InChI=1S/C11H22N2/c1-10(2,3)9-11(4,5)13-8-6-7-12/h13H,6,8-9H2,1-5H3
(3)InChIKey: NJRROXHFUFARLU-UHFFFAOYSA-N