Cas no 150881-02-0 (Aurantiamide benzoate)
Aurantiamide benzoate structure
Product Name:Aurantiamide benzoate
CAS No:150881-02-0
MF:C32H30N2O4
MW:506.591608524323
CID:3026319
PubChem ID:102153907
Update Time:2024-03-01
Aurantiamide benzoate Chemical and Physical Properties
Names and Identifiers
-
- Aurantiamide benzoate
- Benzenepropanamide, α-(benzoylamino)-N-[(1S)-1-[(benzoyloxy)methyl]-2-phenylethyl]-, (αS)-
- 150881-02-0
- AKOS040735742
- HY-N10863
- CS-0637297
-
- Inchi： 1S/C32H30N2O4/c35-30(26-17-9-3-10-18-26)34-29(22-25-15-7-2-8-16-25)31(36)33-28(21-24-13-5-1-6-14-24)23-38-32(37)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2,(H,33,36)(H,34,35)/t28-,29-/m0/s1
- InChI Key： WJJGUIYRXBJSMQ-VMPREFPWSA-N
- SMILES： [C@@H](NC(C1C=CC=CC=1)=O)(C(=O)N[C@H](COC(C1C=CC=CC=1)=O)CC1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 506.22055744g/mol
- Monoisotopic Mass: 506.22055744g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 38
- Rotatable Bond Count: 14
- Complexity: 732
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.1
- Topological Polar Surface Area: 84.5?2
Experimental Properties
- Color/Form: Powder
Aurantiamide benzoate Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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