Cas no 131748-47-5 (Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-N''-nitro-)
![Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-N''-nitro- structure](https://ossimg.kuujia.com/scimg/132000/131748-47-5x500.png)
131748-47-5 structure
Product Name:Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-N''-nitro-
CAS No:131748-47-5
MF:C8H10ClN5O2
MW:243.650299549103
CID:1228864
PubChem ID:9899597
Update Time:2025-04-20
Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-N''-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-N''-nitro-
- 1-[(6-chloropyridin-3-yl)methyl]-2-methyl-3-nitroguanidine
- DTXSID10432550
- 131748-47-5
- SCHEMBL9727921
- BDBM50487983
- CHEMBL148390
-
- Inchi： 1S/C8H10ClN5O2/c1-10-8(13-14(15)16)12-5-6-2-3-7(9)11-4-6/h2-4H,5H2,1H3,(H2,10,12,13)
- InChI Key： SWHRDLPFZQFSLS-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=N1)CN/C(=N/C)/N[N+](=O)[O-]
Computed Properties
- Exact Mass: 243.0525
- Monoisotopic Mass: 243.0523023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 268
- 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: 1.1
- Topological Polar Surface Area: 95.1?2
Experimental Properties
- PSA: 92.45
Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-N''-nitro- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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