Propanenitrile, 3-[(1,1,3,3-tetramethylbutyl)amino]- supplier

Name
3-(TERT-OCTYLAMINO)PROPIONITRILE
EINECS
CAS No. 86375-28-2
Density 0.858 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₂N₂
Boiling Point 268.7 °C at 760 mmHg
Molecular Weight 182.309
Flash Point 116.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 35.82000
LogP 3.09538

Propanenitrile, 3-[(1,1,3,3-tetramethylbutyl)amino]- Specification

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

Product Name

3-(TERT-OCTYLAMINO)PROPIONITRILE

Propanenitrile, 3-[(1,1,3,3-tetramethylbutyl)amino]- Specification

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