Propanenitrile,3-(pentylamino)- supplier

Name
3-(PENTYLAMINO)PROPIONITRILE
EINECS
CAS No. 59676-91-4
Density 0.861 g/cm³
Solubility
Melting Point
Formula C₈H₁₆N₂
Boiling Point 237.7 °C at 760 mmHg
Molecular Weight 140.23
Flash Point 97.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionitrile,b-amylamino- (4CI);
PSA 35.82000
LogP 2.07078

Propanenitrile,3-(pentylamino)- Specification

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

Product Name

3-(PENTYLAMINO)PROPIONITRILE

Propanenitrile,3-(pentylamino)- Specification

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