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Name |
Propanenitrile,3-(pentylamino)- |
EINECS | N/A |
CAS No. | 59676-91-4 | Density | 0.861 g/cm3 |
PSA | 35.82000 | LogP | 2.07078 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H16N2 | Boiling Point | 237.7 °C at 760 mmHg |
Molecular Weight | 140.23 | Flash Point | 97.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Propionitrile,b-amylamino- (4CI); |
The CAS registry number of Propanenitrile,3-(pentylamino)- is 59676-91-4. This chemical is also named as 3-(Pentyamino)propionitrile. In addition, its molecular formula is C8H16N2 and molecular weight is 140.23. Its systematic name and IUPAC name are the same which is called 3-(pentylamino)propanenitrile.
Physical properties about Propanenitrile,3-(pentylamino)- are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): 0.02; (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): 6.14; (9)#H bond acceptors: 2#H ; (10)bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.436; (13)Molar Refractivity: 42.62 cm3; (14)Molar Volume: 162.7 cm3; (15)Surface Tension: 31.8 dyne/cm; (16)Density: 0.861 g/cm3; (17)Flash Point: 97.5 °C; (18)Enthalpy of Vaporization: 47.45 kJ/mol; (19)Boiling Point: 237.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0443 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNCCCCC
(2)InChI: InChI=1/C8H16N2/c1-2-3-4-7-10-8-5-6-9/h10H,2-5,7-8H2,1H3
(3)InChIKey: USJGCZUFFGVFMY-UHFFFAOYAZ