Cas no 801144-27-4 (Piperidine,4,4-bis(2-chloroethyl)-1-methyl-)
801144-27-4 structure
Product Name:Piperidine,4,4-bis(2-chloroethyl)-1-methyl-
CAS No:801144-27-4
MF:C10H19Cl2N
MW:224.170561075211
CID:712769
Update Time:2024-02-04
Piperidine,4,4-bis(2-chloroethyl)-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Piperidine,4,4-bis(2-chloroethyl)-1-methyl-
- Piperidine, 4,4-bis(2-chloroethyl)-1-methyl- (8CI)
- Piperidine, 4,4-bis(2-chloroethyl)-1-methyl-
-
- Inchi: 1S/C10H19Cl2N/c1-13-8-4-10(2-6-11,3-7-12)5-9-13/h2-9H2,1H3
- InChI Key: XSNDYAQXNYVDJI-UHFFFAOYSA-N
- SMILES: N1(C)CCC(CCCl)(CCCl)CC1
Computed Properties
- Exact Mass: 223.089
- Monoisotopic Mass: 223.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 134
- 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
Experimental Properties
- Density: 1.048±0.06 g/cm3(Predicted)
- Boiling Point: 282.3±5.0 °C(Predicted)
- pka: 9.12±0.10(Predicted)
Piperidine,4,4-bis(2-chloroethyl)-1-methyl- Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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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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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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