Cas no 14442-55-8 (Carbamic acid,butylnitro-, methyl ester (6CI,7CI,8CI,9CI))
14442-55-8 structure
Product Name:Carbamic acid,butylnitro-, methyl ester (6CI,7CI,8CI,9CI)
CAS No:14442-55-8
MF:C6H12N2O4
MW:176.170481681824
CID:220585
PubChem ID:287417
Update Time:2025-04-19
Carbamic acid,butylnitro-, methyl ester (6CI,7CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,butylnitro-, methyl ester (6CI,7CI,8CI,9CI)
- methyl N-butyl-N-nitrocarbamate
- butyl-nitro-carbamic acid methyl ester
- Butyl-nitro-carbamidsaeure-methylester
- Methyl-N-nitro-N-n-butyl-carbamat
- N-Butyl-N-nitro-carbaminsaeure-methylester
- N-Nitro-N-butyl-carbamidsaeure-methylester
- NSC-147447
- NSC147447
- methyl butyl(nitro)carbamate
- 14442-55-8
- DTXSID10301919
-
- Inchi： 1S/C6H12N2O4/c1-3-4-5-7(8(10)11)6(9)12-2/h3-5H2,1-2H3
- InChI Key： UWMXFFWKVHTEEE-UHFFFAOYSA-N
- SMILES： O(C)C(N(CCCC)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 176.08000
- Monoisotopic Mass: 176.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 165
- 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: 1.5
- Topological Polar Surface Area: 75.4?2
Experimental Properties
- Density: 1.165
- Boiling Point: 237.7°C at 760 mmHg
- Flash Point: 97.5°C
- Refractive Index: 1.459
- PSA: 75.36000
- LogP: 1.56980
Carbamic acid,butylnitro-, methyl ester (6CI,7CI,8CI,9CI) Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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