Cas no 199588-72-2 ()
structure
Product Name:
CAS No:199588-72-2
MF:C34H33ClN2O
MW:521.091627836227
CID:6770316
PubChem ID:89846789
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C34H33N2O.ClH/c1-2-23-21-36(22-31-27-11-5-3-9-25(27)19-26-10-4-6-12-28(26)31)18-16-24(23)20-33(36)34(37)30-15-17-35-32-14-8-7-13-29(30)32;/h2-15,17,19,23-24,33-34,37H,1,16,18,20-22H2;1H/q+1;/p-1/t23-,24-,33+,34-,36-;/m0./s1
- InChI Key： PICKZKQBJJCSSV-ROXGWBBHSA-M
- SMILES： [Cl-].O[C@@H](C1C=CN=C2C=CC=CC=12)[C@H]1C[C@@H]2CC[N@@+]1(CC1=C3C=CC=CC3=CC3=CC=CC=C13)C[C@@H]2C=C
Computed Properties
- Exact Mass: 520.2281414g/mol
- Monoisotopic Mass: 520.2281414g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 38
- Rotatable Bond Count: 5
- Complexity: 792
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 33.1?2
Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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