Cas no 30117-05-6 (2,4-Pyrimidinediamine,6-chloro-N2-methyl-)
30117-05-6 structure
Product Name:2,4-Pyrimidinediamine,6-chloro-N2-methyl-
CAS No:30117-05-6
MF:C5H7ClN4
MW:158.58887887001
CID:319505
PubChem ID:261127
Update Time:2025-04-19
2,4-Pyrimidinediamine,6-chloro-N2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine,6-chloro-N2-methyl-
- 1,2-diphenylindole-3-carbaldehyde
- 6-chloro-N2-methyl-pyrimidine-2,4-diamine
- 6-Chloro-N~2~-methylpyrimidine-2,4(1H,3H)-diimine
- NSC-93034
- NSC93034
- SCHEMBL12106760
- DTXSID60952531
- 30117-05-6
-
- Inchi： 1S/C5H7ClN4/c1-8-5-9-3(6)2-4(7)10-5/h2H,1H3,(H3,7,8,9,10)
- InChI Key： BSFBUEBSAVYQQR-UHFFFAOYSA-N
- SMILES： ClC1C=C(N)N=C(N=1)NC
Computed Properties
- Exact Mass: 158.03600
- Monoisotopic Mass: 158.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 110
- 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: 63.8?2
Experimental Properties
- Density: 1.447
- Boiling Point: 361.4°C at 760 mmHg
- Flash Point: 172.4°C
- Refractive Index: 1.675
- PSA: 63.83000
- LogP: 1.40810
2,4-Pyrimidinediamine,6-chloro-N2-methyl- Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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