Cas no 65942-50-9 (2-Pyrimidinamine, 4-chloro-N,N-dimethyl-5-phenyl-)
65942-50-9 structure
Product Name:2-Pyrimidinamine, 4-chloro-N,N-dimethyl-5-phenyl-
CAS No:65942-50-9
MF:C12H12ClN3
MW:233.696781158447
CID:397085
PubChem ID:20284981
Update Time:2025-04-19
2-Pyrimidinamine, 4-chloro-N,N-dimethyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinamine, 4-chloro-N,N-dimethyl-5-phenyl-
- 4-chloro-N,N-dimethyl-5-phenylpyrimidin-2-amine
- 65942-50-9
- SCHEMBL11307546
- DTXSID80604646
-
- Inchi： 1S/C12H12ClN3/c1-16(2)12-14-8-10(11(13)15-12)9-6-4-3-5-7-9/h3-8H,1-2H3
- InChI Key： CLZUDZKHBKRRIJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C=NC(=N1)N(C)C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 233.07216
- Monoisotopic Mass: 233.0719751g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 216
- 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: 3.2
- Topological Polar Surface Area: 29?2
Experimental Properties
- PSA: 29.02
2-Pyrimidinamine, 4-chloro-N,N-dimethyl-5-phenyl- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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