Boric acid (H3BO3), reaction products with diethanolamine
- Iupac Name：boric acid;2-(2-hydroxyethylamino)ethanol
- CAS No.: 90268-17-0
- Molecular Weight：166.968
- Modify Date.: 2022-02-12 09:08
- Introduction: Boric acid (H3BO3), reacting with diethanolamine (C4H14BNO), forms a compound with CAS registry number 90268-17-0. This reaction product is utilized in various applications, including as a corrosion inhibitor in industrial processes, a component in metalworking fluids, and a buffering agent in cosmetics. It exhibits chelating properties, contributing to its effectiveness in metal ion sequestration. Additionally, it finds use in the formulation of personal care products and as an additive in lubricants.
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1. Names and Identifiers
- 1.1 Name
- Boric acid (H3BO3), reaction products with diethanolamine
- 1.2 Synonyms
Boric acid, reaction product with diethanolamine Borsure (H3BO3), Reaktionsprodukte mit Diethanolamin Einecs 290-817-0
- 1.3 CAS No.
- 90268-17-0
- 1.4 CID
- 163060
- 1.5 EINECS(EC#)
- 267-886-0
- 1.6 Molecular Formula
- C4H14BNO5 (isomer)
- 1.7 Inchi
- InChI=1S/C4H11NO2.BH3O3/c6-3-1-5-2-4-7;2-1(3)4/h5-7H,1-4H2;2-4H
- 1.8 InChIkey
- HRXOXDAKKRLSMI-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- B(O)(O)O.C(CO)NCCO
- 1.10 Isomers Smiles
- B(O)(O)O.C(CO)NCCO
2. Properties
- 2.1 Boiling point
- 268.4°Cat760mmHg
- 2.1 Flash Point
- 137.8°C
3. Computational chemical data
- Molecular Weight: 166.968g/mol
- Molecular Formula: C4H14BNO5
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 167.0965027
- Monoisotopic Mass: 167.0965027
- Complexity: 36.9
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 113
- Heavy Atom Count: 11
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADccJiOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIHgAQCAAAAADhgAYAAALAAgAAAAAAAAAAAAAAAAAAAIAIAAACEAAAAAAAAAAAEACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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5. Realated Product Infomation
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