Cas no 6958-75-4 (Pyrimidine,4-chloro-2,6-bis[4-(2-chloroethyl)-1-piperazinyl]-, hydrochloride (1:2))
![Pyrimidine,4-chloro-2,6-bis[4-(2-chloroethyl)-1-piperazinyl]-, hydrochloride (1:2) structure](https://ossimg.kuujia.com/scimg/7000/6958-75-4x500.png)
6958-75-4 structure
Product Name:Pyrimidine,4-chloro-2,6-bis[4-(2-chloroethyl)-1-piperazinyl]-, hydrochloride (1:2)
CAS No:6958-75-4
MF:C16H26Cl4N6
MW:444.229838848114
CID:512119
PubChem ID:24187439
Update Time:2025-04-19
Pyrimidine,4-chloro-2,6-bis[4-(2-chloroethyl)-1-piperazinyl]-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,4-chloro-2,6-bis[4-(2-chloroethyl)-1-piperazinyl]-, hydrochloride (1:2)
- NSC64880
- 6958-75-4
- DTXSID60989660
- 4-Chloro-2,6-bis[4-(2-chloroethyl)piperazin-1-yl]pyrimidine--hydrogen chloride (1/1)
- NSC-64880
-
- Inchi： 1S/C16H25Cl3N6.ClH/c17-1-3-22-5-9-24(10-6-22)15-13-14(19)20-16(21-15)25-11-7-23(4-2-18)8-12-25;/h13H,1-12H2;1H
- InChI Key： XBENQJWVLQHUMN-UHFFFAOYSA-N
- SMILES： ClCCN1CCN(C2C=C(N=C(N=2)N2CCN(CCCl)CC2)Cl)CC1.Cl
Computed Properties
- Exact Mass: 305.09885
- Monoisotopic Mass: 305.098668
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 431
- 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
- Topological Polar Surface Area: 90.9
Experimental Properties
- Density: 1.305
- Boiling Point: 575.9°Cat760mmHg
- Flash Point: 302.1°C
- Refractive Index: 1.678
- PSA: 62.7
- LogP: 2.65940
Pyrimidine,4-chloro-2,6-bis[4-(2-chloroethyl)-1-piperazinyl]-, hydrochloride (1:2) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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