Product Name

  • Name

    3-(OCTYLAMINO)PROPIONITRILE

  • EINECS 249-669-2
  • CAS No. 29504-89-0
  • Article Data2
  • CAS DataBase
  • Density 0.858 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H22N2
  • Boiling Point 291.1 °C at 760 mmHg
  • Molecular Weight 182.309
  • Flash Point 129.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 29504-89-0 (3-(OCTYLAMINO)PROPIONITRILE)
  • Hazard Symbols
  • Synonyms N-(2-Cyanoethyl)octylamine;N-Octyl-b-aminopropionitrile;3-(Octylamino)propionitrile;Propionitrile,3-(octylamino)- (8CI);
  • PSA 35.82000
  • LogP 3.24108

Propanenitrile,3-(octylamino)- Specification

The CAS registry number of Propanenitrile,3-(octylamino)- is 29504-89-0. This chemical is also named as 3-(Octylamino)propionitrile, 99%. Its EINECS registry number is 249-669-2. In addition, its molecular formula is C11H22N2 and molecular weight is 182.31. Its systematic name and IUPAC name are the same which is called 3-(octylamino)propanenitrile.

Physical properties about Propanenitrile,3-(octylamino)- are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.97; (7)ACD/KOC (pH 5.5): 1.22; (8)ACD/KOC (pH 7.4): 37.32; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 56.51 cm3; (14)Molar Volume: 212.3 cm3; (15)Surface Tension: 32.2 dyne/cm; (16)Density: 0.858 g/cm3; (17)Flash Point: 129.9 °C; (18)Enthalpy of Vaporization: 53.06 kJ/mol; (19)Boiling Point: 291.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00198 mmHg at 25°C.

Uses of Propanenitrile,3-(octylamino)-: it can be used to produce octyl-(2-pyridin-2-yl-ethyl)-amine at temperature of 25 °C. It will need catalyst cpCo(cod) and solvent toluene. It also needs irradiation. The yield is about 50 %.

Propanenitrile,3-(octylamino)- can be used to produce octyl-(2-pyridin-2-yl-ethyl)-amine

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNCCCCCCCC
(2)InChI: InChI=1/C11H22N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-8,10-11H2,1H3
(3)InChIKey: AFXXFNVAHYRPIZ-UHFFFAOYAH

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