Product Name

  • Name

    3-(DODECYLAMINO)PROPIONITRILE

  • EINECS 225-302-1
  • CAS No. 4763-40-0
  • Article Data5
  • CAS DataBase
  • Density 0.856 g/cm3
  • Solubility
  • Melting Point
  • Formula C15H30N2
  • Boiling Point 355.9 °C at 760 mmHg
  • Molecular Weight 238.417
  • Flash Point 169 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 4763-40-0 (3-(DODECYLAMINO)PROPIONITRILE)
  • Hazard Symbols IrritantXi
  • Synonyms NSC 40168;N-(2-Cyanoethyl)dodecylamine;Propionitrile,3-(dodecylamino)- (6CI,7CI,8CI);
  • PSA 35.82000
  • LogP 4.80148

Propanenitrile,3-(dodecylamino)- Specification

The CAS registry number of Propanenitrile,3-(dodecylamino)- is 4763-40-0. This chemical is also named as 3-(Dodecylamino)propionitrile. Its EINECS registry number is 225-302-1. In addition, its molecular formula is C15H30N2 and molecular weight is 238.41. Its systematic name and IUPAC name are the same which is called 3-(dodecylamino)propanenitrile. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Propanenitrile,3-(dodecylamino)- are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 6.26; (6)ACD/BCF (pH 7.4): 227.94; (7)ACD/KOC (pH 5.5): 20.46; (8)ACD/KOC (pH 7.4): 744.93; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 75.05 cm3; (14)Molar Volume: 278.3 cm3; (15)Surface Tension: 32.6 dyne/cm; (16)Density: 0.856 g/cm3; (17)Flash Point: 169 °C; (18)Enthalpy of Vaporization: 60.11 kJ/mol; (19)Boiling Point: 355.9 °C at 760 mmHg.

Uses of Propanenitrile,3-(dodecylamino)-: it can be used to produce 3,3'-dodecylimino-di-propionitrile. The yield is about 85.7 %.

Uses of Propanenitrile,3-(dodecylamino)- can be used to produce 3,3'-dodecylimino-di-propionitrile

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNCCCCCCCCCCCC
(2)InChI: InChI=1/C15H30N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-12,14-15H2,1H3
(3)InChIKey: DKRQDOPNZFOLQD-UHFFFAOYAU

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