Cas no 71340-69-7 (2,4-Pyrimidinediamine,6-chloro-, hydrochloride (1:1))
71340-69-7 structure
Product Name:2,4-Pyrimidinediamine,6-chloro-, hydrochloride (1:1)
CAS No:71340-69-7
MF:C4H6Cl2N4
MW:181.023237705231
CID:563894
PubChem ID:3054499
Update Time:2025-04-19
2,4-Pyrimidinediamine,6-chloro-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine,6-chloro-, hydrochloride (1:1)
- 6-Chloro-2,4-pyrimidinediamine hydrochloride
- 6-chloropyrimidine-2,4-diamine,hydrochloride
- NS-4232
- 2,4-Pyrimidinediamine, 6-chloro-, monohydrochloride
- 71340-69-7
- DTXSID80221539
-
- Inchi： 1S/C4H5ClN4.ClH/c5-2-1-3(6)9-4(7)8-2;/h1H,(H4,6,7,8,9);1H
- InChI Key： YNJYNMKNCYRZJR-UHFFFAOYSA-N
- SMILES： ClC1=CC(N)=NC(N)=N1.Cl
Computed Properties
- Exact Mass: 179.99718
- Monoisotopic Mass: 179.996952
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 98.6
- 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
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: nothing
- Topological Polar Surface Area: 77.8
Experimental Properties
- Boiling Point: 438.3°C at 760 mmHg
- Flash Point: 218.9°C
- PSA: 77.82
2,4-Pyrimidinediamine,6-chloro-, hydrochloride (1:1) Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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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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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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