Cas no 6313-92-4 (2-[2-(2-nitramido-4,5-dihydroimidazol-1-yl)ethyl]-1-nitroguanidine)
![2-[2-(2-nitramido-4,5-dihydroimidazol-1-yl)ethyl]-1-nitroguanidine structure](https://ossimg.kuujia.com/scimg/6500/6313-92-4x500.png)
6313-92-4 structure
Product Name:2-[2-(2-nitramido-4,5-dihydroimidazol-1-yl)ethyl]-1-nitroguanidine
CAS No:6313-92-4
MF:C6H12N8O4
MW:260.21067905426
CID:1647145
PubChem ID:412621
Update Time:2025-04-21
2-[2-(2-nitramido-4,5-dihydroimidazol-1-yl)ethyl]-1-nitroguanidine Chemical and Physical Properties
Names and Identifiers
-
- 2-[2-(2-nitramido-4,5-dihydroimidazol-1-yl)ethyl]-1-nitroguanidine
- AC1L93XG
- N-Nitro-N'-[2-(2-nitroamino-4,5-dihydro-imidazol-1-yl)-aethyl]-guanidin
- N-nitro-N'-[2-(2-nitroamino-4,5-dihydro-imidazol-1-yl)-ethyl]-guanidine
- NSC40589
- AC1L93XG; N-Nitro-N'-[2-(2-nitroamino-4,5-dihydro-imidazol-1-yl)-aethyl]-guanidin; N-nitro-N'-[2-(2-nitroamino-4,5-dihydro-imidazol-1-yl)-ethyl]-guanidine; NSC40589;
- NSC-40589
- 6313-92-4
- DTXSID50328620
-
- Inchi： 1S/C6H12N8O4/c7-5(10-13(15)16)8-1-3-12-4-2-9-6(12)11-14(17)18/h1-4H2,(H,9,11)(H3,7,8,10)
- InChI Key： ILOOMOQJFPTBOQ-UHFFFAOYSA-N
- SMILES： [O-][N+](NC1=NCCN1CC/N=C(\N)/N[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 262.11402
- Monoisotopic Mass: 260.09815089g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 382
- 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: -1.6
- Topological Polar Surface Area: 170?2
Experimental Properties
- PSA: 156.16
- LogP: -0.56270
2-[2-(2-nitramido-4,5-dihydroimidazol-1-yl)ethyl]-1-nitroguanidine Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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