Cas no 6329-65-3 (Trimethyl-[2-(1,5,6-trimethoxyphenanthren-4-yl)ethyl]azanium;chloride)
6329-65-3 structure
Product Name:Trimethyl-[2-(1,5,6-trimethoxyphenanthren-4-yl)ethyl]azanium;chloride
CAS No:6329-65-3
MF:C22H28ClNO3
MW:389.915625572205
CID:1655435
PubChem ID:24185802
Update Time:2025-04-21
Trimethyl-[2-(1,5,6-trimethoxyphenanthren-4-yl)ethyl]azanium;chloride Chemical and Physical Properties
Names and Identifiers
-
- trimethyl-[2-(1,5,6-trimethoxyphenanthren-4-yl)ethyl]azanium,chloride
- chloride
- trimethyl-[2-(1,5,6-trimethoxyphenanthren-4-yl)ethyl]azanium
- NSC-43491
- DTXSID90637147
- 6329-65-3
- NSC43491
- N,N,N-Trimethyl-2-(1,5,6-trimethoxyphenanthren-4-yl)ethan-1-aminium chloride
- Trimethyl-[2-(1,5,6-trimethoxyphenanthren-4-yl)ethyl]azanium;chloride
-
- Inchi: 1S/C22H28NO3.ClH/c1-23(2,3)14-13-16-8-11-18(24-4)17-10-7-15-9-12-19(25-5)22(26-6)21(15)20(16)17;/h7-12H,13-14H2,1-6H3;1H/q+1;/p-1
- InChI Key: UIDAQCGBHIJVLI-UHFFFAOYSA-M
- SMILES: [Cl-].O(C)C1C=CC(=C2C=1C=CC1C=CC(=C(C2=1)OC)OC)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 354.20704
- Monoisotopic Mass: 389.175771
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 449
- 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: 27.7
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 27.69
Trimethyl-[2-(1,5,6-trimethoxyphenanthren-4-yl)ethyl]azanium;chloride Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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