Cas no 24269-49-6 (1-Piperazinecarboxylicacid, 4-[2-(diethylamino)ethyl]-, 2-methylpropyl ester, hydrochloride (1:1))
![1-Piperazinecarboxylicacid, 4-[2-(diethylamino)ethyl]-, 2-methylpropyl ester, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/24500/24269-49-6x500.png)
24269-49-6 structure
Product Name:1-Piperazinecarboxylicacid, 4-[2-(diethylamino)ethyl]-, 2-methylpropyl ester, hydrochloride (1:1)
CAS No:24269-49-6
MF:C15H32ClN3O2
MW:321.886483192444
CID:277085
PubChem ID:212390
Update Time:2025-04-19
1-Piperazinecarboxylicacid, 4-[2-(diethylamino)ethyl]-, 2-methylpropyl ester, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinecarboxylicacid, 4-[2-(diethylamino)ethyl]-, 2-methylpropyl ester, hydrochloride (1:1)
- 2-methylpropyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate,hydrochloride
- 24269-49-6
- 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride
- DTXSID80178973
- 1-Piperazinecarboxylic acid, 4-(2-(diethylamino)ethyl)-, isobutyl ester, hydrochloride
-
- Inchi： 1S/C15H31N3O2.ClH/c1-5-16(6-2)7-8-17-9-11-18(12-10-17)15(19)20-13-14(3)4;/h14H,5-13H2,1-4H3;1H
- InChI Key： QVWXARKISHNFIH-UHFFFAOYSA-N
- SMILES： Cl.O(CC(C)C)C(N1CCN(CCN(CC)CC)CC1)=O
Computed Properties
- Exact Mass: 321.21856
- Monoisotopic Mass: 321.218
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 272
- 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?2
Experimental Properties
- Boiling Point: 365.9°Cat760mmHg
- Flash Point: 175.1°C
- PSA: 36.02
1-Piperazinecarboxylicacid, 4-[2-(diethylamino)ethyl]-, 2-methylpropyl ester, hydrochloride (1:1) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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