Cas no 497855-78-4 (1H-Imidazole-2-carboxaldehyde, 1-(1-methylpropyl)- (9CI))
497855-78-4 structure
Product Name:1H-Imidazole-2-carboxaldehyde, 1-(1-methylpropyl)- (9CI)
CAS No:497855-78-4
MF:C8H12N2O
MW:152.193681716919
CID:1017187
PubChem ID:22938778
Update Time:2025-04-20
1H-Imidazole-2-carboxaldehyde, 1-(1-methylpropyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-carboxaldehyde, 1-(1-methylpropyl)- (9CI)
- SCHEMBL5655855
- 497855-78-4
- AKOS006313673
- DS-020603
- DTXSID501237754
- 1-(1-Methylpropyl)-1H-imidazole-2-carboxaldehyde
-
- Inchi： 1S/C8H12N2O/c1-3-7(2)10-5-4-9-8(10)6-11/h4-7H,3H2,1-2H3
- InChI Key： YQRBJUZFYJOBOK-UHFFFAOYSA-N
- SMILES： O=CC1=NC=CN1C(C)CC
Computed Properties
- Exact Mass: 152.094963011g/mol
- Monoisotopic Mass: 152.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 138
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 34.9?2
1H-Imidazole-2-carboxaldehyde, 1-(1-methylpropyl)- (9CI) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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