Cas no 89913-91-7 (2H-1,3-Diazepin-2-one, hexahydro-1,3-bis(1-methylethyl)-)
89913-91-7 structure
Product Name:2H-1,3-Diazepin-2-one, hexahydro-1,3-bis(1-methylethyl)-
CAS No:89913-91-7
MF:C11H22N2O
MW:198.305182933807
CID:585357
PubChem ID:13214690
Update Time:2025-04-19
2H-1,3-Diazepin-2-one, hexahydro-1,3-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,3-Diazepin-2-one, hexahydro-1,3-bis(1-methylethyl)-
- 1,3-di(propan-2-yl)-1,3-diazepan-2-one
- 89913-91-7
- DTXSID40528753
-
- Inchi： 1S/C11H22N2O/c1-9(2)12-7-5-6-8-13(10(3)4)11(12)14/h9-10H,5-8H2,1-4H3
- InChI Key： JDBZIHWENFNENT-UHFFFAOYSA-N
- SMILES： O=C1N(C(C)C)CCCCN1C(C)C
Computed Properties
- Exact Mass: 198.173213330g/mol
- Monoisotopic Mass: 198.173213330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 182
- 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: 1.8
- Topological Polar Surface Area: 23.6?2
2H-1,3-Diazepin-2-one, hexahydro-1,3-bis(1-methylethyl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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
89913-91-7 (2H-1,3-Diazepin-2-one, hexahydro-1,3-bis(1-methylethyl)-) Related Products
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