Cas no 42197-95-5 ( )
structure
Product Name:
CAS No:42197-95-5
MF:C10H17ClN10
MW:312.761977910995
CID:927875
PubChem ID:54598539
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-1-(diaminomethylidene)guanidine
- NSC142092
- 42197-95-5
- NSC-142092
- DTXSID80962359
- N,N''''-1,4-Phenyleneditriimidodicarbonic diamide--hydrogen chloride (1/1)
-
-
- Inchi： 1S/C10H16N10.ClH/c11-7(12)19-9(15)17-5-1-2-6(4-3-5)18-10(16)20-8(13)14;/h1-4H,(H6,11,12,15,17,19)(H6,13,14,16,18,20);1H
- InChI Key： VIHAZJPHQYBDHV-UHFFFAOYSA-N
- SMILES： Cl.N(=C(/N)\N=C(/N)\N)/C1C=CC(=CC=1)/N=C(\N)/N=C(\N)/N
Computed Properties
- Exact Mass: 312.1326183g/mol
- Monoisotopic Mass: 312.1326183g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 391
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 206?2
Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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