Cas no 851107-86-3 (4,5-diamino-2,3-dihydroinden-1-one)
851107-86-3 structure
Product Name:4,5-diamino-2,3-dihydroinden-1-one
CAS No:851107-86-3
MF:C9H10N2O
MW:162.188501834869
CID:717019
PubChem ID:16082548
Update Time:2025-04-19
4,5-diamino-2,3-dihydroinden-1-one Chemical and Physical Properties
Names and Identifiers
-
- 4,5-diamino-2,3-dihydroinden-1-one
- 1H-Inden-1-one, 4,5-diamino-2,3-dihydro-
-
- Inchi： 1S/C9H10N2O/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3H,2,4,10-11H2
- InChI Key： RHTOCKZWDSKUNK-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC(=C(C=2CC1)N)N
Computed Properties
- Exact Mass: 162.079312947g/mol
- Monoisotopic Mass: 162.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 205
- 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: 0.3
- Topological Polar Surface Area: 69.1?2
4,5-diamino-2,3-dihydroinden-1-one Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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