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| CAS No.: | 7249-87-8 |
|---|---|
| Name: | 3-(PROPYLAMINO)PROPIONITRILE |
| Molecular Structure: | |
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| Formula: | C6H12N2 |
| Molecular Weight: | 112.175 |
| Synonyms: | 3-(propylamino)-propanenitril;3-(Propylamino)propanenitrile;N-(beta-Cyanoethyl)propylamine;N-Cyanoethyl-N-propylamine;Propionitrile, 3-(propylamino)-;3-(PROPYLAMINO)PROPIONITRILE;LABOTEST-BB LTBB000408;3-(Propylamino)propiononitrile |
| Density: | 0.864 g/cm3 |
| Boiling Point: | 204.4 °C at 760 mmHg |
| Flash Point: | 77.4 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 34-36/37/38 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 2734 |
| PSA: | 35.82000 |
| LogP: | 1.29058 |
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Specification
The CAS registry number of Propanenitrile,3-(propylamino)- is 7249-87-8. This chemical is also named as N-(β-Cyanoethyl)propylamine. In addition, its molecular formula is C6H12N2 and molecular weight is 112.17. Its systematic name and IUPAC name are the same which is called 3-(propylamino)propanenitrile.
Physical properties about Propanenitrile,3-(propylamino)- are: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.53; (4)ACD/LogD (pH 7.4): -0.96; (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): 1.93; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.427; (13)Molar Refractivity: 33.35 cm3; (14)Molar Volume: 129.7 cm3; (15)Surface Tension: 31.3 dyne/cm; (16)Density: 0.864 g/cm3; (17)Flash Point: 77.4 °C; (18)Enthalpy of Vaporization: 44.06 kJ/mol; (19)Boiling Point: 204.4 °C at 760 mmHg; (20)Vapour Pressure: 0.264 mmHg at 25°C.
Uses of Propanenitrile,3-(propylamino)-: it can be used to produce 1-(2-cyano-ethyl)-1-propyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-urea at ambient temperature. It will need solvent diethyl ether with reaction time of 2 hours. The yield is about 93 %.
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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 irritating to eyes, respiratory system and skin and may cause burns. 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#CCCNCCC
(2)InChI: InChI=1/C6H12N2/c1-2-5-8-6-3-4-7/h8H,2-3,5-6H2,1H3
(3)InChIKey: MZQXEAUWIMFFCG-UHFFFAOYAB