Cas no 32599-13-6 ( )
structure
Product Name:
CAS No:32599-13-6
MF:C13H22ClNO2
MW:259.77228307724
CID:917087
PubChem ID:24193885
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- AG-F-09130; MCULE-2830448133; Diaethyl-[2-(4-methoxy-phenoxy)-aethyl]-amin, Hydrochlorid; AC1L9O2U; 2-Mpte; diethyl-[2-(4-methoxy-phenoxy)-ethyl]-amine, hydrochloride; CTK4G8979; Ethanamine, N,N-diethyl-2-(4-methoxyphenoxy)-; Mpta-2;
- N,N-Diethyl-2-(4-methoxyphenoxy)ethan-1-amine--hydrogen chloride (1/1)
- 32599-13-6
- NSC-159500
- DTXSID90954321
- NSC159500
-
-
- Inchi： 1S/C13H21NO2.ClH/c1-4-14(5-2)10-11-16-13-8-6-12(15-3)7-9-13;/h6-9H,4-5,10-11H2,1-3H3;1H
- InChI Key： SKTZPQJZCRJJEL-UHFFFAOYSA-N
- SMILES： Cl.O(C1C=CC(=CC=1)OC)CCN(CC)CC
Computed Properties
- Exact Mass: 259.1339066g/mol
- Monoisotopic Mass: 259.1339066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 163
- 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: 21.7?2
Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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