2-[(octadecyloxy)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine structure

3D Mol Similar

2-[(octadecyloxy)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

Iupac Name：tert-butyl 2-aminoacetate;hydrochloride

CAS No.: 27532-96-3

Molecular Weight：167.633

Modify Date.: 2022-02-23 11:02

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1. Names and Identifiers

1.1 Name: 2-[(octadecyloxy)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

2. Properties

3.1 Melting point: 138-142℃

3.1 Refractive index: 1.522

3.1 Vapour pressure: 0.026mmHg at 25°C

3.1 Precise Quality: 167.07100

3.1 PSA: 52.32000

3.1 logP: 1.78910

3. Safety and Handling

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S24/25

4.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. Computational chemical data

Molecular Weight: 167.633g/mol
Molecular Formula: C_₂₄H_₂₉N_₃O_₄
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 167.0713064
Monoisotopic Mass: 167.0713064
Complexity: 104
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 52.3
Heavy Atom Count: 10
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: AAADccBiMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADETBgAQCCABABAAIAACQCAAAAAAAAAAAAICAAAACAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

7. Realated Product Infomation

1421312-38-0 5,7-dichloro-2-[(octadecyloxy)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

195602-20-1 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin

1364440-63-0 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin

1222186-52-8 5-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

1257983-55-3 7-[2-[3,5-bis[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-thiophenyl]-5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3-thiophenyl]-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin

1350699-17-0 5-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-7-(4-nitrophenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin

1257983-56-4 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-thiophenyl]-2-thiophenyl]-3-thiophenyl]-2-thiophenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin

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