Cas no 20708-42-3 (2,4-Pyrimidinediamine,6-[2-(3-aminophenyl)ethyl]-5-(4-chlorophenyl)-)
![2,4-Pyrimidinediamine,6-[2-(3-aminophenyl)ethyl]-5-(4-chlorophenyl)- structure](https://ossimg.kuujia.com/scimg/21000/20708-42-3x500.png)
20708-42-3 structure
Product Name:2,4-Pyrimidinediamine,6-[2-(3-aminophenyl)ethyl]-5-(4-chlorophenyl)-
CAS No:20708-42-3
MF:C18H18ClN5
MW:339.822021961212
CID:285644
PubChem ID:427589
Update Time:2025-04-19
2,4-Pyrimidinediamine,6-[2-(3-aminophenyl)ethyl]-5-(4-chlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine,6-[2-(3-aminophenyl)ethyl]-5-(4-chlorophenyl)-
- 6-[2-(3-aminophenyl)ethyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
- NSC-212460
- NSC212460
- 20708-42-3
- DTXSID40330191
-
- Inchi： 1S/C18H18ClN5/c19-13-7-5-12(6-8-13)16-15(23-18(22)24-17(16)21)9-4-11-2-1-3-14(20)10-11/h1-3,5-8,10H,4,9,20H2,(H4,21,22,23,24)
- InChI Key： RUQDSRXGDWVTHC-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1=C(N)N=C(N)N=C1CCC1C=CC=C(C=1)N
Computed Properties
- Exact Mass: 339.12534
- Monoisotopic Mass: 339.1250733g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 388
- 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: 3.4
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 103.84
2,4-Pyrimidinediamine,6-[2-(3-aminophenyl)ethyl]-5-(4-chlorophenyl)- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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