Cas no 767240-98-2 (Benzenemethanaminium, 4-hydroxy-N,N,N,3,5-pentamethyl-)
767240-98-2 structure
Product Name:Benzenemethanaminium, 4-hydroxy-N,N,N,3,5-pentamethyl-
CAS No:767240-98-2
MF:C12H20NO
MW:194.293303489685
CID:537338
PubChem ID:20634505
Update Time:2025-04-19
Benzenemethanaminium, 4-hydroxy-N,N,N,3,5-pentamethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanaminium, 4-hydroxy-N,N,N,3,5-pentamethyl-
- (4-hydroxy-3,5-dimethylphenyl)methyl-trimethylazanium
- SCHEMBL13116296
- 767240-98-2
- DTXSID40609197
- (4-Hydroxy-3,5-dimethylphenyl)-N,N,N-trimethylmethanaminium
-
- Inchi： 1S/C12H19NO/c1-9-6-11(8-13(3,4)5)7-10(2)12(9)14/h6-7H,8H2,1-5H3/p+1
- InChI Key： PECJKZQAQFXRHI-UHFFFAOYSA-O
- SMILES： OC1C(C)=CC(=CC=1C)C[N+](C)(C)C
Computed Properties
- Exact Mass: 194.1546
- Monoisotopic Mass: 194.154489261g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 173
- 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: 2.1
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Benzenemethanaminium, 4-hydroxy-N,N,N,3,5-pentamethyl- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
767240-98-2 (Benzenemethanaminium, 4-hydroxy-N,N,N,3,5-pentamethyl-) Related Products
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