Name: POE (2) OLEYL AMINE
SKU: 13127-82-7

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Basic Information

Molecular Structure:
CAS No.:	13127-82-7
Name:	POE (2) OLEYL AMINE
Article Data:	4

Formula:	C₂₂H₄₅NO₂
Molecular Weight:	355.605
Synonyms:	Ethanol,2,2'-(9-octadecenylimino)bis-, (Z)-;Ethanol, 2,2'-(9-octadecenylimino)di-,(Z)- (8CI);Ethanol, 2,2'-[(9Z)-9-octadecenylimino]bis- (9CI);2,2'-(Oleylamino)diethanol;Anstex SA 35;Armostat 710;N,N-Bis(2-hydroxyethyl)oleylamine;N,N-Bis(hydroxyethyl)oleylamine;N-Oleyldiethanolamine;Oleylbis(2-hydroxyethyl)amine;
EINECS:	236-062-2
Density:	0.917 g/cm³
Boiling Point:	480.5 °C at 760 mmHg
Flash Point:	202.6 °C
PSA:	43.70000
LogP:	5.31050

Synthetic route

: 59485-81-3, 16507-61-2
cis-1-chloro-9-octadecene

: 111-42-2
2,2'-iminobis[ethanol]

: 13127-82-7
N,N-bis(2-hydroxyethyl)oleylamine

Conditions

Conditions	Yield
With Tetrahydrofurfuryl alcohol

: 143-28-2
oleoyl alcohol

: 13127-82-7
N,N-bis(2-hydroxyethyl)oleylamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: thionyl chloride 2: tetrahydrofurfuryl alcohol View Scheme

: 13127-82-7
N,N-bis(2-hydroxyethyl)oleylamine

: 69-72-7
salicylic acid

: molybdenum(VI) oxide

: 2C22H43NO2(2-)*2C7H5O3(1-)*Mo(6+)

Conditions

Conditions	Yield
In water at 95℃; for 1h; Inert atmosphere;

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Specification

The Ethanol,2,2'-[(9Z)-9-octadecen-1-ylimino]bis-, with the CAS registry number 13127-82-7, has the IUPAC name of 2-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]ethanol.

The physical properties of this chemical are as below: (1)ACD/LogP: 7.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.01; (4)ACD/LogD (pH 7.4): 6.59; (5)ACD/BCF (pH 5.5): 805.65 ; (6)ACD/BCF (pH 7.4): 31089.16; (7)ACD/KOC (pH 5.5): 674.59; (8)ACD/KOC (pH 7.4): 26031.7; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 21.7; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 110.82 cm³; (15)Molar Volume: 387.5 cm³; (16)Polarizability: 43.93×10^-24 cm³; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 0.917 g/cm³; (19)Flash Point: 202.6 °C; (20)Enthalpy of Vaporization: 85.86 kJ/mol; (21)Boiling Point: 480.5 °C at 760 mmHg; (22)Vapour Pressure: 3E-11 mmHg at 25°C.

In addition, you could obtain the molecular structure by using the following datas:
(1)Canonical SMILES: CCCCCCCCC=CCCCCCCCCN(CCO)CCO
(2)Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCCN(CCO)CCO
(3)InChI: InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-
21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3/b10-9-
(4)InChIKey: BITAPBDLHJQAID-KTKRTIGZSA-N