Cas no 83540-32-3 (2,4-Pyrimidinediamine,6-(4-methyl-1-piperazinyl)-, 3-oxide, hydrochloride (1:2))
83540-32-3 structure
Product Name:2,4-Pyrimidinediamine,6-(4-methyl-1-piperazinyl)-, 3-oxide, hydrochloride (1:2)
CAS No:83540-32-3
MF:C9H18Cl2N6O
MW:297.184818744659
CID:722710
PubChem ID:3068563
Update Time:2025-04-19
2,4-Pyrimidinediamine,6-(4-methyl-1-piperazinyl)-, 3-oxide, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine,6-(4-methyl-1-piperazinyl)-, 3-oxide, hydrochloride (1:2)
- 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine dihydroc hloride
- DTXSID401003546
- 2,4-Diamino-6-(4-metilpiperazinil)pirimidina 3-ossido
- 6-Amino-2-imino-4-(4-methylpiperazin-1-yl)pyrimidin-1(2H)-ol--hydrogen chloride (1/2)
- Pyrimidine, 2,4-diamino-6-(4-methyl-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate
- 83540-32-3
- 2,4-Diamino-6-(4-methyl-1-piperazinyl)pyrimidine 3-oxide dihydrochloride hydrate
- 2,4-Diamino-6-(4-metilpiperazinil)pirimidina 3-ossido [Italian]
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- Inchi： 1S/C9H16N6O.2ClH/c1-13-2-4-14(5-3-13)8-6-7(10)15(16)9(11)12-8;;/h6,11,16H,2-5,10H2,1H3;2*1H
- InChI Key： SSSFPRLPXBYLGE-UHFFFAOYSA-N
- SMILES： Cl.Cl.ON1C(=N)N=C(C=C1N)N1CCN(C)CC1
Computed Properties
- Exact Mass: 296.092
- Monoisotopic Mass: 296.092
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 355
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 92.2?2
Experimental Properties
- Boiling Point: 358.2°C at 760 mmHg
- Flash Point: 170.4°C
2,4-Pyrimidinediamine,6-(4-methyl-1-piperazinyl)-, 3-oxide, hydrochloride (1:2) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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