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(S)-N-(2,2-DIMETHYL-1[1,3]DIOXOLAN-4-YLMETHYL)-ACETAMIDE structure

(S)-N-(2,2-DIMETHYL-1[1,3]DIOXOLAN-4-YLMETHYL)-ACETAMIDE

 
1. Names and Identifiers
1.1 Name
(S)-N-(2,2-DIMETHYL-1[1,3]DIOXOLAN-4-YLMETHYL)-ACETAMIDE
1.2 Synonyms
(S)-N-(2,2-DIMETHYL-1[1,3]DIOXOLAN-4-YLMETHYL)-ACETAMIDE; 1,3-Dioxolane, 4-ethyl-2,2-dimethyl-, (S)- (9CI);
1.3 CAS No.
72952-75-1
1.4 CID
53471245
1.5 Molecular Formula
C8H15NO3
1.6 Inchi
InChI=1S/C8H15NO3/c1-6(10)9-4-7-5-11-8(2,3)12-7/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m0/s1
1.7 InChkey
WAUMPQINBDMEJH-ZETCQYMHSA-N
1.8 Canonical Smiles
CC(=O)NCC1COC(O1)(C)C
1.9 Isomers Smiles
CC(=O)NC[C@H]1COC(O1)(C)C
2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3. Synthesis Route
72952-75-1Total: 3 Synthesis Route
 
1707-77-3
1707-77-3 173 Suppliers
 
72952-75-1
72952-75-1 2 Suppliers
 
67-64-1
67-64-1
 
584-03-2
584-03-2 45 Suppliers
 
 
72952-75-1
72952-75-1 2 Suppliers
4. Precursor and Product
5. Computed Properties
  • Molecular Weight:173.212g/molg/mol
  • Molecular Formula:C8H15NO3
  • Compound Is Canonicalized:True
  • Exact Mass:-0.2
  • XLogP3-AA:173.10519334
  • Monoisotopic Mass:173.10519334
  • Complexity:179
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:47.6
  • Heavy Atom Count::12
  • Defined Atom Stereocenter Count:1
  • 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:AAADccByMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACBThgAYCCALABAAIAAEQEAAAAAAAAAAAAIAIAAATAAAAAAAnAAACFgCWAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 2 Suppliers View more
Tel: Update Time:2019/11/25
Tel: Update Time:2019/11/25
7. Realated Product Infomation
 
 
 
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