Products Categories
CAS No.: | 702-03-4 |
---|---|
Name: | 3-(CYCLOHEXYLAMINO)PROPIONITRILE |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C9H16N2 |
Molecular Weight: | 152.239 |
Synonyms: | Propionitrile,3-(cyclohexylamino)- (6CI,7CI,8CI);3-(Cyclohexylamino)propionitrile;N-(2-Cyanoethyl)-N-cyclohexylamine;N-(2-Cyanoethyl)cyclohexylamine; |
EINECS: | 211-864-5 |
Density: | 0.94 g/cm3 |
Melting Point: | 122 °C |
Boiling Point: | 283.8 °C at 760 mmHg |
Flash Point: | 125.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22 |
Safety: | 26-36/37/39 |
PSA: | 35.82000 |
LogP: | 2.21328 |
What can I do for you?
Get Best Price
The CAS registry number of Propanenitrile,3-(cyclohexylamino)- is 702-03-4. This chemical is also named as N-(2-Cyanoethyl)cyclohexylamine. Its EINECS registry number is 211-864-5. In addition, its molecular formula is C9H16N2 and molecular weight is 152.24. Its systematic name and IUPAC name are the same which is called 3-(cyclohexylamino)propanenitrile.
Physical properties about Propanenitrile,3-(cyclohexylamino)- are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -0.01; (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): 6.08; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 45.24 cm3; (14)Molar Volume: 160.9 cm3; (15)Surface Tension: 36.8 dyne/cm; (16)Density: 0.94 g/cm3; (17)Flash Point: 125.4 °C; (18)Enthalpy of Vaporization: 52.27 kJ/mol; (19)Boiling Point: 283.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0031 mmHg at 25°C.
Uses of Propanenitrile,3-(cyclohexylamino)-: it can be used to produce 1-(2-cyano-ethyl)-1-cyclohexyl-3-ethyl-thiourea at ambient temperature. It will need solvent benzene with reaction time of 2.5 hours. The yield is about 92 %.
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. 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#CCCNC1CCCCC1
(2)InChI: InChI=1/C9H16N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-6,8H2
(3)InChIKey: OLUJYRYCQHJDKJ-UHFFFAOYAY