Cas no 83395-36-2 (butyl 1H-imidazole-1-carboxylate)
83395-36-2 structure
Product Name:butyl 1H-imidazole-1-carboxylate
CAS No:83395-36-2
MF:C8H12N2O2
MW:168.193081855774
CID:2125956
PubChem ID:12840941
Update Time:2025-04-21
butyl 1H-imidazole-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- butyl 1H-imidazole-1-carboxylate
- SCHEMBL943943
- 83395-36-2
- DB-333919
-
- Inchi： 1S/C8H12N2O2/c1-2-3-6-12-8(11)10-5-4-9-7-10/h4-5,7H,2-3,6H2,1H3
- InChI Key： XOSAJQPRWISAMV-UHFFFAOYSA-N
- SMILES： O(C(N1C=NC=C1)=O)CCCC
Computed Properties
- Exact Mass: 168.089877630Da
- Monoisotopic Mass: 168.089877630Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 150
- 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: 1.3
- Topological Polar Surface Area: 44.1?2
butyl 1H-imidazole-1-carboxylate Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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