Cas no 642067-33-2 ( )
structure
Product Name:
CAS No:642067-33-2
MF:C7H12N2O
MW:140.182981491089
CID:961168
PubChem ID:22238584
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole,2-(ethoxymethyl)-1-methyl-(9CI)
- 2-(Ethoxymethyl)-1-methyl-1H-imidazole
- 642067-33-2
- SCHEMBL6058569
-
-
- Inchi: 1S/C7H12N2O/c1-3-10-6-7-8-4-5-9(7)2/h4-5H,3,6H2,1-2H3
- InChI Key: ABSAWYFOLZSEMD-UHFFFAOYSA-N
- SMILES: O(CC)CC1=NC=CN1C
Computed Properties
- Exact Mass: 140.094963011g/mol
- Monoisotopic Mass: 140.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 97.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 27?2
Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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