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

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

 
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;
1.3 CAS No.
113825-05-1
1.4 CID
2795396
1.5 Molecular Formula
C11H19NO2S
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
1.7 InChkey
YRCGLUZNPJCFOZ-UHFFFAOYSA-N
1.8 Canonical Smiles
CCOC(CNCC1=CC=CS1)OCC
1.9 Isomers Smiles
CCOC(CNCC1=CC=CS1)OCC
2. Synthesis Route
113825-05-1Total: 1 Synthesis Route
   
113825-05-1
113825-05-1 3 Suppliers
3. Precursor and Product
precursor:
product:
4. Computed Properties
  • Molecular Weight:229.34g/mol
  • Molecular Formula:C11H19NO2S
  • Compound Is Canonicalized:True
  • Exact Mass:1.6
  • XLogP3-AA: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==
5. Toltal 3 Suppliers View more
Tel: Update Time:2018/11/21
Tel: Update Time:2019/02/23
Tel: Update Time:2014/01/21
6. Realated Product Infomation
 
 
 
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