Cas no 13957-33-0 (Benzeneethanaminium,3-hydroxy-N,N,N-trimethyl-)
13957-33-0 structure
Product Name:Benzeneethanaminium,3-hydroxy-N,N,N-trimethyl-
CAS No:13957-33-0
MF:C11H18NO
MW:180.266723155975
CID:153470
PubChem ID:10386
Update Time:2025-04-19
Benzeneethanaminium,3-hydroxy-N,N,N-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanaminium,3-hydroxy-N,N,N-trimethyl-
- 2-(3-Hydroxy-phenyl)-ethyl-trimethylammonium, Leptodactylin
- 2-(3-hydroxyphenyl)-N,N,N-trimethylethanaminium
- CHEMBL4117554
- DTXSID40901643
- AKOS040752485
- 2-(3-hydroxyphenyl)ethyl-trimethylazanium
- 13957-33-0
- SCHEMBL1170475
- Leptodactyline
- NoName_777
-
- Inchi： 1S/C11H17NO/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h4-6,9H,7-8H2,1-3H3/p+1
- InChI Key： VLDBEZDOSUKOBS-UHFFFAOYSA-O
- SMILES： OC1=CC=CC(=C1)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 180.138839
- Monoisotopic Mass: 180.138839
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 151
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 20.2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
Benzeneethanaminium,3-hydroxy-N,N,N-trimethyl- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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