3-(TERT-BUTYLAMINO)PROPIONITRILE

The CAS registry number of Propanenitrile,3-[(1,1-dimethylethyl)amino]- is 21539-53-7. This chemical is also named as 3-(tert-Butylamino)propionitrile. In addition, its molecular formula is C₇H₁₄N₂ and molecular weight is 126.2. Its systematic name and IUPAC name are the same which is called 3-(tert-butylamino)propanenitrile.

Physical properties about Propanenitrile,3-[(1,1-dimethylethyl)amino]- are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.17; (4)ACD/LogD (pH 7.4): -0.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.431; (13)Molar Refractivity: 37.95 cm³; (14)Molar Volume: 146.3 cm³; (15)Surface Tension: 29.8 dyne/cm; (16)Density: 0.862 g/cm³; (17)Flash Point: 77.3 °C; (18)Enthalpy of Vaporization: 44.05 kJ/mol; (19)Boiling Point: 204.2 °C at 760 mmHg; (20)Vapour Pressure: 0.266 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNC(C)(C)C
(2)InChI: InChI=1/C7H14N2/c1-7(2,3)9-6-4-5-8/h9H,4,6H2,1-3H3
(3)InChIKey: DGXPYBHONIFYLU-UHFFFAOYAZ