Cas no 62258-40-6 (Nitrocarbamic acid ethyl ester ammonium salt)
62258-40-6 structure
Product Name:Nitrocarbamic acid ethyl ester ammonium salt
CAS No:62258-40-6
MF:C3H9N3O4
MW:151.121260404587
CID:956396
PubChem ID:9570710
Update Time:2025-04-19
Nitrocarbamic acid ethyl ester ammonium salt Chemical and Physical Properties
Names and Identifiers
-
- Nitrocarbamic acid ethyl ester ammonium salt
- azanium,(1E)-1-ethoxy-N-nitromethanimidate
- 62258-40-6
- CARBAMIC ACID, NITRO-, ETHYL ESTER, AMMONIUM SALT
- Ethyl nitrocarbamate ammonium salt
-
- Inchi： 1S/C3H6N2O4.H3N/c1-2-9-3(6)4-5(7)8;/h2H2,1H3,(H,4,6);1H3
- InChI Key： IBRNJJUEKWXBFT-UHFFFAOYSA-N
- SMILES： O(/C(=N/[N+](=O)[O-])/[O-])CC.[NH4+]
Computed Properties
- Exact Mass: 151.05937
- Monoisotopic Mass: 151.05930578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 126
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 91.5?2
Experimental Properties
- PSA: 124.29
Nitrocarbamic acid ethyl ester ammonium salt Related Literature
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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