Cas no 35089-66-8 ( )
structure
Product Name:
CAS No:35089-66-8
MF:C5H12N4O2
MW:160.174380302429
CID:919837
PubChem ID:94461
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-methylpropyl)-1-nitroguanidine
- 1-(t-Butyl)-3-nitroguanidin
- 1-isobutyl-3-nitroguanidine
- 3-Nitro-1-isobutyl-guanidin
- AC1L3S9O
- AC1Q21V2
- CTK4H3529
- Guanidine, N-(2-methylpropyl)-N'-nitro-
- N-(2-METHYLPROPYL)-N'-NITROGUANIDINE
- N-isobutyl-N'-nitro-guanidine
- NSC25074
- WLN: WNNUYZM1Y1&
- 2-(2-Methylpropyl)-1-nitro-guanidine
- ISOBUTYL-N'-NITROGUANIDINE, N-
- 35089-66-8
- WLN: WNNUYZM1Y1&1
- UNII-K02MD24ZXN
- NSC 25074
- DTXSID70188586
- DS-003290
- NSC-25074
- K02MD24ZXN
-
-
- Inchi： 1S/C5H12N4O2/c1-4(2)3-7-5(6)8-9(10)11/h4H,3H2,1-2H3,(H3,6,7,8)
- InChI Key： WCBSFALVQYJQEM-UHFFFAOYSA-N
- SMILES： [O-][N+](N/C(/N)=N/CC(C)C)=O
Computed Properties
- Exact Mass: 161.10399
- Monoisotopic Mass: 160.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 160
- 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: 0.6
- Topological Polar Surface Area: 96.2?2
Experimental Properties
- Density: 1.3
- Boiling Point: 275.5°Cat760mmHg
- Flash Point: 120.4°C
- PSA: 88.22
- LogP: 1.35280
Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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