Cas no 5488-62-0 (Hexanoic acid, 6-[3-(dimethylamino)propyl]-10,11-dihydro-5,10-epoxy-5H-dibenzo[a,d]cyclohepten-11-yl ester, trans- (8CI))
![Hexanoic acid, 6-[3-(dimethylamino)propyl]-10,11-dihydro-5,10-epoxy-5H-dibenzo[a,d]cyclohepten-11-yl ester, trans- (8CI) structure](https://ossimg.kuujia.com/scimg/5500/5488-62-0x500.png)
5488-62-0 structure
Product Name:Hexanoic acid, 6-[3-(dimethylamino)propyl]-10,11-dihydro-5,10-epoxy-5H-dibenzo[a,d]cyclohepten-11-yl ester, trans- (8CI)
CAS No:5488-62-0
MF:C24H33N3O5S
MW:475.600925207138
CID:385352
PubChem ID:5213009
Update Time:2025-04-19
Hexanoic acid, 6-[3-(dimethylamino)propyl]-10,11-dihydro-5,10-epoxy-5H-dibenzo[a,d]cyclohepten-11-yl ester, trans- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 6-[3-(dimethylamino)propyl]-10,11-dihydro-5,10-epoxy-5H-dibenzo[a,d]cyclohepten-11-yl ester, trans- (8CI)
- N'-[2-(1-adamantyl)acetyl]-4-methyl-3-morpholin-4-ylsulfonylbenzohydrazide
- 5488-62-0
- AKOS034066832
- Z28744536
- DTXSID00410408
-
- Inchi： 1S/C24H33N3O5S/c1-16-2-3-20(11-21(16)33(30,31)27-4-6-32-7-5-27)23(29)26-25-22(28)15-24-12-17-8-18(13-24)10-19(9-17)14-24/h2-3,11,17-19H,4-10,12-15H2,1H3,(H,25,28)(H,26,29)
- InChI Key： OYQOZKYWEJCTEO-UHFFFAOYSA-N
- SMILES： S(C1=C(C)C=CC(=C1)C(NNC(CC12CC3CC(CC(C3)C1)C2)=O)=O)(N1CCOCC1)(=O)=O
Computed Properties
- Exact Mass: 475.21429
- Monoisotopic Mass: 475.21409234g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 33
- Rotatable Bond Count: 5
- Complexity: 823
- 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: 3.2
- Topological Polar Surface Area: 113?2
Experimental Properties
- PSA: 104.81
Hexanoic acid, 6-[3-(dimethylamino)propyl]-10,11-dihydro-5,10-epoxy-5H-dibenzo[a,d]cyclohepten-11-yl ester, trans- (8CI) Related Literature
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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