Cas no 185376-41-4 (Carbamic acid,(3-methylbutyl)nitroso-, ethyl ester (9CI))
185376-41-4 structure
Product Name:Carbamic acid,(3-methylbutyl)nitroso-, ethyl ester (9CI)
CAS No:185376-41-4
MF:C8H16N2O3
MW:188.224242210388
CID:114534
Update Time:2024-01-24
Carbamic acid,(3-methylbutyl)nitroso-, ethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid,(3-methylbutyl)nitroso-, ethyl ester (9CI)
- Carbamic acid, (3-methylbutyl)nitroso-, ethyl ester (9CI)
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- Inchi： 1S/C8H16N2O3/c1-4-13-8(11)10(9-12)6-5-7(2)3/h7H,4-6H2,1-3H3
- InChI Key： DYNRPSAXQIJKOR-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)N(CCC(C)C)N=O
Computed Properties
- Exact Mass: 188.11618
- Monoisotopic Mass: 188.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 171
- 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
- Topological Polar Surface Area: 59A^2
Experimental Properties
- Density: 1.07±0.1 g/cm3(Predicted)
- Boiling Point: 221.7±23.0 °C(Predicted)
- PSA: 58.97
- pka: -2.75±0.70(Predicted)
Carbamic acid,(3-methylbutyl)nitroso-, ethyl ester (9CI) Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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