Cas no 149096-32-2 (1H-Imidazole-4-carboxylicacid, 1-propyl-, methyl ester)
149096-32-2 structure
Product Name:1H-Imidazole-4-carboxylicacid, 1-propyl-, methyl ester
CAS No:149096-32-2
MF:C8H12N2O2
MW:168.193081855774
CID:100319
PubChem ID:15047451
Update Time:2025-04-18
1H-Imidazole-4-carboxylicacid, 1-propyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-4-carboxylicacid, 1-propyl-, methyl ester
- methyl 1-propylimidazole-4-carboxylate
- 1-PROPYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER
- ACMC-20n5lr
- AG-D-95018
- CTK4C6037
- Methyl1-propyl-1H-imidazole-4-carboxylate
- methyl-1-prpylimidazole-4-carboxylate
- SureCN2282033
- 1H-Imidazole-4-carboxylicacid,1-propyl-,methylester(9CI)
- FT-0703796
- SCHEMBL2282033
- 1H-Imidazole-4-carboxylic acid, 1-propyl-, methyl ester
- 149096-32-2
- KICWFSNTRRTWKU-UHFFFAOYSA-N
- Methyl 1-propyl-1H-imidazole-4-carboxylate
- DTXSID50567517
-
- Inchi： 1S/C8H12N2O2/c1-3-4-10-5-7(9-6-10)8(11)12-2/h5-6H,3-4H2,1-2H3
- InChI Key： KICWFSNTRRTWKU-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CN(C=N1)CCC)=O
Computed Properties
- Exact Mass: 168.089877630g/mol
- Monoisotopic Mass: 168.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 161
- 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: 1
- Topological Polar Surface Area: 44.1?2
1H-Imidazole-4-carboxylicacid, 1-propyl-, methyl ester Related Literature
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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