N-(2,2-DIETHOXYETHYL)-N-(2-THIENYLMETHYL)AMINE

: Iupac Name：2,2-diethoxy-N-(thiophen-2-ylmethyl)ethanamine; CAS No.: 113825-05-1; Molecular Weight：229.34; Modify Date.: 2022-11-27 08:32

1. Names and Identifiers

: 1.1 Name; N-(2,2-DIETHOXYETHYL)-N-(2-THIENYLMETHYL)AMINE; 1.2 Synonyms; 2,2-bis(ethyloxy)-N-(2-thienylmethyl)ethanamine 2,2-Diethoxy-N-(thiophen-2-ylMethyl)ethanaMine 2-Thiophenemethanamine, N-(2,2-diethoxyethyl)- N-(2,2-DIETHOXYETHYL)-N-(2-THIENYLMETHYL)AMINE N-(2,2-Diethyoxyethyl)-N-(2-thienylmethyl)amine N-(THEN-2-YL)AMINO ACETALDEHYDE DIETHYL ACETAL

1.6 Inchi: InChI=1S/C11H19NO2S/c1-3-13-11(14-4-2)9-12-8-10-6-5-7-15-10/h5-7,11-12H,3-4,8-9H2,1-2H3

2. Properties

3. Synthesis Route

113825-05-1Total: 1 Synthesis Route

113825-05-1 3 Suppliers

Literatures:
Nippon Shinyaku Co., Ltd. Patent: EP2141168 A1, 2010 ; Location in patent: Page/Page column 17 ; EP 2141168 A1
Yield: null

4. Precursor and Product

precursor:

113825-04-0

product :

59038-47-0

5. Computational chemical data

Molecular Weight: 229.34g/mol
Molecular Formula: C₁₁H₁₉NO₂S
Compound Is Canonicalized: True
XLogP3-AA: 1.6
Exact Mass: 229.11365002
Monoisotopic Mass: 229.11365002
Complexity: 152
Rotatable Bond Count: 8
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 58.7
Heavy Atom Count: 15
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: 1
CACTVS Substructure Key Fingerprint: AAADceByMABAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAHgQQAAAACAD10AeyCYLABAiEACBCAACDAIAgCBBIiJgIBIgaICKgkRGnAAhgkAC8iAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==