Cas no 130400-13-4 (1,3,5-Triazin-2-amine,1,4,5,6-tetrahydro-N,5-dinitro-)
130400-13-4 structure
Product Name:1,3,5-Triazin-2-amine,1,4,5,6-tetrahydro-N,5-dinitro-
CAS No:130400-13-4
MF:C3H6N6O4
MW:190.117538928986
CID:102643
PubChem ID:550751
Update Time:2025-04-18
1,3,5-Triazin-2-amine,1,4,5,6-tetrahydro-N,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazin-2-amine,1,4,5,6-tetrahydro-N,5-dinitro-
- 1,4,5,6-Tetrahydro-N,5-dinitro-1,3,5-triazin-2-amine
- N-(3-nitro-2,4-dihydro-1H-1,3,5-triazin-6-yl)nitramide
- AKOS025296278
- 130400-13-4
- N-(5-Nitro-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)nitramide
- DTXSID10338705
-
- Inchi： 1S/C3H6N6O4/c10-8(11)6-3-4-1-7(2-5-3)9(12)13/h1-2H2,(H2,4,5,6)
- InChI Key： ZZTAIADKUHXVCI-UHFFFAOYSA-N
- SMILES： [O-][N+](N1CN=C(N[N+](=O)[O-])NC1)=O
Computed Properties
- Exact Mass: 190.04518
- Monoisotopic Mass: 190.04505269g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 252
- 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: -0.2
- Topological Polar Surface Area: 131?2
Experimental Properties
- PSA: 125.94
1,3,5-Triazin-2-amine,1,4,5,6-tetrahydro-N,5-dinitro- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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