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CAS No.: | 14806-72-5 |
---|---|
Name: | tris(2-hydroxyethyl)ammonium acetate |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H19NO5 |
Molecular Weight: | 209.24016 |
Synonyms: | Triethanolamine acetate;Tris(2-hydroxyethyl)ammonium acetate;Ethanol, 2,2,2-nitrilotri-, acetate (salt);Acetic acid, triethanolamine salt;Ethanol, 2,2,2-nitrilotris-, acetate (salt); |
EINECS: | 238-874-2 |
Density: | 1.26[at 20℃] |
Boiling Point: | 335.4 °C at 760 mmHg |
Flash Point: | 185 °C |
Solubility: | 99g/L at 20℃ |
PSA: | 101.23000 |
LogP: | -1.64380 |
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The CAS registry number of 2,2,2-Nitrilotrisethanol acetate is 14806-72-5. This chemical is also known as Acetic acid,triethanolamine salt. Its EINECS registry number is 238-874-2. This chemical's molecular formula is C8H19NO5 and molecular weight is 209.24016. Its systematic name is called 2,2',2''-nitrilotriethanol acetate (1:1).
Physical properties of 2,2,2-Nitrilotrisethanol acetate are: (1)ACD/LogP: -1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.39; (4)ACD/LogD (pH 7.4): -1.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.57; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Flash Point: 185 °C; (13)Enthalpy of Vaporization: 67.02 kJ/mol; (14)Boiling Point: 335.4 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C.OCCN(CCO)CCO
(2)InChI: InChI=1/C6H15NO3.C2H4O2/c8-4-1-7(2-5-9)3-6-10;1-2(3)4/h8-10H,1-6H2;1H3,(H,3,4)
(3)InChIKey: UPCXAARSWVHVLY-UHFFFAOYAW