Cas no 1188412-94-3 (5,6-diamino-2,3-dihydro-1H-Isoindol-1-one)
1188412-94-3 structure
Product Name:5,6-diamino-2,3-dihydro-1H-Isoindol-1-one
CAS No:1188412-94-3
MF:C8H9N3O
MW:163.176561117172
CID:1101075
PubChem ID:68650357
Update Time:2025-04-20
5,6-diamino-2,3-dihydro-1H-Isoindol-1-one Chemical and Physical Properties
Names and Identifiers
-
- 5,6-diamino-2,3-dihydro-1H-Isoindol-1-one
- AT28279
- SCHEMBL3459944
- 5,6-diaminoisoindolin-1-one
- 1188412-94-3
- KAXKHWQURACVTO-UHFFFAOYSA-N
-
- Inchi： 1S/C8H9N3O/c9-6-1-4-3-11-8(12)5(4)2-7(6)10/h1-2H,3,9-10H2,(H,11,12)
- InChI Key： KAXKHWQURACVTO-UHFFFAOYSA-N
- SMILES： O=C1C2C=C(C(=CC=2CN1)N)N
Computed Properties
- Exact Mass: 163.074561919g/mol
- Monoisotopic Mass: 163.074561919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 207
- 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: -0.6
- Topological Polar Surface Area: 81.1?2
5,6-diamino-2,3-dihydro-1H-Isoindol-1-one Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
1188412-94-3 (5,6-diamino-2,3-dihydro-1H-Isoindol-1-one) Related Products
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