Cas no 831209-37-1 (4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, monohydrate)
831209-37-1 structure
Product Name:4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, monohydrate
CAS No:831209-37-1
MF:C4H9N3O2
MW:131.133160352707
CID:677774
PubChem ID:22996550
Update Time:2025-04-19
4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, monohydrate Chemical and Physical Properties
Names and Identifiers
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- 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, monohydrate
- 2-amino-3-methyl-4H-imidazol-5-one,hydrate
- 2-Amino-1-methyl-1,5-dihydro-4H-imidazol-4-one--water (1/1)
- 831209-37-1
- SCHEMBL435006
- creatinine monohydrate
- DTXSID70629449
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- Inchi： 1S/C4H7N3O.H2O/c1-7-2-3(8)6-4(7)5;/h2H2,1H3,(H2,5,6,8);1H2
- InChI Key： NDFCCFWNBAZVMD-UHFFFAOYSA-N
- SMILES： O=C1CN(C)C(N)=N1.O
Computed Properties
- Exact Mass: 131.069476538g/mol
- Monoisotopic Mass: 131.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 151
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 59.7?2
4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, monohydrate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
831209-37-1 (4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, monohydrate) Related Products
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