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Name |
Propanenitrile,3-(hexylamino)- |
EINECS | N/A |
CAS No. | 55490-85-2 | Density | 0.86 g/cm3 |
PSA | 35.82000 | LogP | 2.46088 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H18N2 | Boiling Point | 256 °C at 760 mmHg |
Molecular Weight | 154.25 | Flash Point | 108.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Propionitrile,3-(hexylamino)- (7CI); |
Article Data | 10 |
The CAS registry number of Propanenitrile,3-(hexylamino)- is 55490-85-2. This chemical is also named as 3-(Hexylamino)propionitrile, 99%. In addition, its molecular formula is C9H18N2 and molecular weight is 154.25. Its systematic name and IUPAC name are the same which is called 3-(hexylamino)propanenitrile.
Physical properties about Propanenitrile,3-(hexylamino)- are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): 0.47; (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): 9.86; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.439; (13)Molar Refractivity: 47.25 cm3; (14)Molar Volume: 179.2 cm3; (15)Surface Tension: 32 dyne/cm; (16)Density: 0.86 g/cm3; (17)Flash Point: 108.6 °C; (18)Enthalpy of Vaporization: 49.35 kJ/mol; (19)Boiling Point: 256 °C at 760 mmHg; (20)Vapour Pressure: 0.0158 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#CCCNCCCCCC
(2)InChI: InChI=1/C9H18N2/c1-2-3-4-5-8-11-9-6-7-10/h11H,2-6,8-9H2,1H3
(3)InChIKey: IBFRLHYBIOCBTE-UHFFFAOYAX