Cas no 24269-21-4 (1-Piperazinecarboxylicacid, 4-[2-(dimethylamino)ethyl]-, 1-methylethyl ester, hydrochloride (1:1))
![1-Piperazinecarboxylicacid, 4-[2-(dimethylamino)ethyl]-, 1-methylethyl ester, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/24500/24269-21-4x500.png)
24269-21-4 structure
Product Name:1-Piperazinecarboxylicacid, 4-[2-(dimethylamino)ethyl]-, 1-methylethyl ester, hydrochloride (1:1)
CAS No:24269-21-4
MF:C12H26ClN3O2
MW:279.806742191315
CID:257082
PubChem ID:212374
Update Time:2025-04-19
1-Piperazinecarboxylicacid, 4-[2-(dimethylamino)ethyl]-, 1-methylethyl ester, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinecarboxylicacid, 4-[2-(dimethylamino)ethyl]-, 1-methylethyl ester, hydrochloride (1:1)
- propan-2-yl 4-[2-(dimethylamino)ethyl]piperazine-1-carboxylate,hydrochloride
- 24269-21-4
- 1-Piperazinecarboxylic acid, 4-(2-(dimethylamino)ethyl)-, isopropyl ester, hydrochloride
- DTXSID10178966
- 4-(2-(Dimethylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride
-
- Inchi： 1S/C12H25N3O2.ClH/c1-11(2)17-12(16)15-9-7-14(8-10-15)6-5-13(3)4;/h11H,5-10H2,1-4H3;1H
- InChI Key： QIYKFFWPDRSRML-UHFFFAOYSA-N
- SMILES： Cl.O(C(C)C)C(N1CCN(CCN(C)C)CC1)=O
Computed Properties
- Exact Mass: 279.17158
- Monoisotopic Mass: 279.171355
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 236
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 36
Experimental Properties
- Boiling Point: 318.2°C at 760 mmHg
- Flash Point: 146.2°C
- PSA: 36.02
1-Piperazinecarboxylicacid, 4-[2-(dimethylamino)ethyl]-, 1-methylethyl ester, hydrochloride (1:1) 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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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