Cas no 101491-57-0 (Carbamic acid,[2-(diethylamino)ethyl]-, phenylmethyl ester, monohydrochloride (9CI))
![Carbamic acid,[2-(diethylamino)ethyl]-, phenylmethyl ester, monohydrochloride (9CI) structure](https://ossimg.kuujia.com/scimg/101500/101491-57-0x500.png)
101491-57-0 structure
Product Name:Carbamic acid,[2-(diethylamino)ethyl]-, phenylmethyl ester, monohydrochloride (9CI)
CAS No:101491-57-0
MF:C14H23ClN2O2
MW:286.797622919083
CID:216789
PubChem ID:58425
Update Time:2025-04-19
Carbamic acid,[2-(diethylamino)ethyl]-, phenylmethyl ester, monohydrochloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,[2-(diethylamino)ethyl]-, phenylmethyl ester, monohydrochloride (9CI)
- diethyl-[2-(phenylmethoxycarbonylamino)ethyl]azanium,chloride
- 101491-57-0
- Benzyl N-(2-(diethylamino)ethyl)carbamate hydrochloride
- CARBAMIC ACID, (2-(DIETHYLAMINO)ETHYL)-, BENZYL ESTER, MONOHYDROCHLORIDE
-
- Inchi： 1S/C14H22N2O2.ClH/c1-3-16(4-2)11-10-15-14(17)18-12-13-8-6-5-7-9-13;/h5-9H,3-4,10-12H2,1-2H3,(H,15,17);1H
- InChI Key： MEUMADPYSQIPEW-UHFFFAOYSA-N
- SMILES： [Cl-].O(CC1C=CC=CC=1)C(NCC[NH+](CC)CC)=O
Computed Properties
- Exact Mass: 262.9649
- Monoisotopic Mass: 286.144806
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 224
- 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
Experimental Properties
- Boiling Point: 374.5°Cat760mmHg
- Flash Point: 180.3°C
- PSA: 46.3
- LogP: 3.26100
Carbamic acid,[2-(diethylamino)ethyl]-, phenylmethyl ester, monohydrochloride (9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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