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34140-91-5

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Basic Information
CAS No.: 34140-91-5
Name: oleic acid, compound with (Z)-N-octadec-9-enylpropane-1,3-diamine (2:1)
Molecular Structure:
Molecular Structure of 34140-91-5 (oleic acid, compound with (Z)-N-octadec-9-enylpropane-1,3-diamine (2:1))
Formula: C57H112N2O4
Molecular Weight: 889.5102
Synonyms: N-Oleyl propylene diamine dioleate;Inipol 002;Cemulcat ODO;Oleic acid, compound with (Z)-N-octadec-9-enylpropane-1,3-diamine (2:1);
EINECS: 251-846-4
Boiling Point: 868.7°Cat760mmHg
Flash Point: 479.2°C
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Specification

The (9Z)-9-Octadecenoic acid-N-[(9Z)-9-octadecen-1-yl]-1,3-propanediamine (2:1), with the CAS registry number 34140-91-5. It belongs to the product categories of organic matter. This chemical's molecular formula is C57H112N2O4 and molecular weight is 103.11. Its systematic name is (9Z)-9-Octadecenoic acid-N-[(9Z)-9-octadecen-1-yl]-1,3-propanediamine (2:1).

Physical properties about (9Z)-9-Octadecenoic acid-N-[(9Z)-9-octadecen-1-yl]-1,3-propanediamine (2:1) are:(1)ACD/LogP: 23.124; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 20.49; (4)ACD/LogD (pH 7.4): 20.61; (5)#H bond acceptors: 6; (6)#H bond donors: 5; (7)#Freely Rotating Bonds: 50; (8)Flash Point: 479.2 °C; (9)Enthalpy of Vaporization: 137.01 kJ/mol; (10)Boiling Point: 868.7 °C at 760 mmHg; (11)Vapour Pressure: 1.7E-33 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CCCCCCCC\C=C/CCCCCCCCNCCCN.CCCCCCCC\C=C/CCCCCCCC(O)=O.OC(=O)CCCCCCC/C=C\CCCCCCCC;
(2)InChI:InChI=1S/C21H44N2.2C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,23H,2-8,11-22H2,1H3;2*9-10H,2-8,11-17H2,1H3,(H,19,20)/b3*10-9-;
(3)InChIKey:VTXWSJAEIWTHCL-DJNDIFCPSA-N.