CAS No.2224-49-9,TRIETHANOLAMINE LAURATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2224-49-9
Name:	TRIETHANOLAMINE LAURATE
Article Data:	2

Formula:	C₁₈H₃₉NO₅
Molecular Weight:	349.511
Synonyms:	Lauric acid, compound with 2,2',2''-Nitrilotriethanol (1:1);
EINECS:	218-749-9
Boiling Point:	296.1 °C at 760 mmHg
Flash Point:	134.1 °C
PSA:	82.14000
LogP:	11.68070

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Specification

The Lauryl triethanolamine, with the CAS registry number 2224-49-9, is also known as Lauric acid, compound with 2,2',2''-Nitrilotriethanol (1:1). Its EINECS registry number is 218-749-9. This chemical's molecular formula is C₁₈H₃₉NO₅and molecular weight is 349.506. What's more, its IUPAC name is 2-[Bis(2-hydroxyethyl)amino]ethanol.

Physical properties about Lauryl triethanolamine are: (1)ACD/LogP: 5.03; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 627.67; (6)ACD/BCF (pH 7.4): 10.08; (7)ACD/KOC (pH 5.5): 2082.83; (8)ACD/KOC (pH 7.4): 33.43; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 26.3 Å²; (13)Flash Point: 134.1 °C; (14)Enthalpy of Vaporization: 56.59 kJ/mol; (15)Boiling Point: 296.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000661 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCCCCCCCCC.OCCN(CCO)CCO
(2) InChI: InChI=1/C12H24O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;8-4-1-7(2-5-9)3-6-10/h2-11H2,1H3,(H,13,14);8-10H,1-6H2
(3) InChIKey: WLMZUANPXHJWCH-UHFFFAOYAL