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40165-68-2

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Basic Information
CAS No.: 40165-68-2
Name: Dioleylamine
Article Data: 9
Molecular Structure:
Molecular Structure of 40165-68-2 (Dioleylamine)
Formula: C36H71N
Molecular Weight: 517.966
Synonyms: Armeen 2O;9-Octadecen-1-amine,N-(9Z)-9-octadecen-1-yl-,(9Z)-;9-Octadecen-1-amine,N-9-octadecenyl-,(Z,Z)-;Dioleylamine;(E)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine;
EINECS: 254-819-5
Density: 0.837 g/cm3
Boiling Point: 590.6 °C at 760 mmHg
Flash Point: 205.8 °C
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Specification

The 9-Octadecen-1-amine,N-(9Z)-9-octadecenyl-,(9Z)- with CAS registry number of 40165-68-2 is also called 9-Octadecen-1-amine,N-9-octadecenyl-,(Z,Z)-. The IUPAC name is (9Z)-N-[(9Z)-octadec-9-en-1-yl]octadec-9-en-1-amine. Its EINECS registry number is 254-819-5. In addition, the formula is C36H71N and the molecular weight is 517.9556.

Physical properties about this chemical are: (1)ACD/LogP: 16.60; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.5; (4)ACD/LogD (pH 7.4): 13.66; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 32; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 172.54 cm3; (15)Molar Volume: 618.8 cm3; (16)Polarizability: 68.4 ×10-24cm3; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 0.837 g/cm3; (19)Flash Point: 205.8 °C; (20)Enthalpy of Vaporization: 88.11 kJ/mol; (21)Boiling Point: 590.6 °C at 760 mmHg; (22)Vapour Pressure: 6.38E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(=C\CCCCCCCCNCCCCCCCC\C=C/CCCCCCCC)\CCCCCCCC
(2)InChI: InChI=1/C36H71N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18-
(3)InChIKey: JTQQDDNCCLCMER-CLFAGFIQBU