Cas no 101491-60-5 (Carbamic acid,[2-(diethylamino)ethyl]-, (2,4-dimethylphenyl)methyl ester, monohydrochloride(9CI))
![Carbamic acid,[2-(diethylamino)ethyl]-, (2,4-dimethylphenyl)methyl ester, monohydrochloride(9CI) structure](https://ossimg.kuujia.com/scimg/101500/101491-60-5x500.png)
101491-60-5 structure
Product Name:Carbamic acid,[2-(diethylamino)ethyl]-, (2,4-dimethylphenyl)methyl ester, monohydrochloride(9CI)
CAS No:101491-60-5
MF:C16H27ClN2O2
MW:314.850783586502
CID:157753
PubChem ID:58431
Update Time:2025-04-19
Carbamic acid,[2-(diethylamino)ethyl]-, (2,4-dimethylphenyl)methyl ester, monohydrochloride(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,[2-(diethylamino)ethyl]-, (2,4-dimethylphenyl)methyl ester, monohydrochloride(9CI)
- 2-[(2,4-dimethylphenyl)methoxycarbonylamino]ethyl-diethylazanium,chloride
- 2,4-Dimethylbenzyl N-(2-(diethylamino)ethyl)carbamate hydrochloride
- 101491-60-5
- Carbamic acid, (2-(diethylamino)ethyl)-, 2,4-dimethylbenzyl ester, monohydrochloride
-
- Inchi： 1S/C16H26N2O2.ClH/c1-5-18(6-2)10-9-17-16(19)20-12-15-8-7-13(3)11-14(15)4;/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,17,19);1H
- InChI Key： XKLCCPGOXRHFJN-UHFFFAOYSA-N
- SMILES： [Cl-].O(CC1C=CC(C)=CC=1C)C(NCC[NH+](CC)CC)=O
Computed Properties
- Exact Mass: 286.9649
- Monoisotopic Mass: 314.1761058g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 280
- 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: 42.8?2
Experimental Properties
- PSA: 46.3
Carbamic acid,[2-(diethylamino)ethyl]-, (2,4-dimethylphenyl)methyl ester, monohydrochloride(9CI) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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