Cas no 31688-74-1 (Benzenaminium,4-benzoyl-N,N,N-trimethyl-, iodide (1:1))
31688-74-1 structure
Product Name:Benzenaminium,4-benzoyl-N,N,N-trimethyl-, iodide (1:1)
CAS No:31688-74-1
MF:C16H18INO
MW:367.2246966362
CID:322163
PubChem ID:16237343
Update Time:2025-04-19
Benzenaminium,4-benzoyl-N,N,N-trimethyl-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenaminium,4-benzoyl-N,N,N-trimethyl-, iodide (1:1)
- (4-benzoylphenyl)-trimethylazanium,iodide
- N,N,N-trimethyl-4-(phenylcarbonyl)benzenaminium iodide
- SCHEMBL6847918
- DTXSID60585565
- 4-Benzoyl-N,N,N-trimethylbenzenaminium iodide
- Z56785093
- (4-benzoylphenyl)-trimethylazanium;iodide
- NSC176000
- 4-Benzoyl-N,N,N-trimethylanilinium iodide
- AKOS001036331
- 4-Benzoyl-N,N,N-trimethylbenzenaminiumiodide
- NSC-176000
- 31688-74-1
-
- Inchi： 1S/C16H18NO.HI/c1-17(2,3)15-11-9-14(10-12-15)16(18)13-7-5-4-6-8-13;/h4-12H,1-3H3;1H/q+1;/p-1
- InChI Key： AISUASLWCKKDRT-UHFFFAOYSA-M
- SMILES： [I-].O=C(C1C=CC=CC=1)C1C=CC(=CC=1)[N+](C)(C)C
Computed Properties
- Exact Mass: 240.13894
- Monoisotopic Mass: 367.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 278
- 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: 17.1A^2
Experimental Properties
- PSA: 17.07
- LogP: 0.11830
Benzenaminium,4-benzoyl-N,N,N-trimethyl-, iodide (1:1) Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
31688-74-1 (Benzenaminium,4-benzoyl-N,N,N-trimethyl-, iodide (1:1)) Related Products
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