Cas no 16813-36-8 (2,4(1H,3H)-Pyrimidinedione,dihydro-1-nitroso-)
16813-36-8 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,dihydro-1-nitroso-
CAS No:16813-36-8
MF:C4H5N3O3
MW:143.100800275803
CID:142290
PubChem ID:85598
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione,dihydro-1-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione,dihydro-1-nitroso-
- 1-nitroso-1,3-diazinane-2,4-dione
- 1-nitroso-5,6-dihydrouracil
- 1-nitrosodihydropyrimidine-2,4(1H,3H)-dione
- 1-nitroso-dihydro-pyrimidine-2,4-dione
- BRN 0779636
- CCRIS 1563
- dihydro-1-nitroso-2,4(1H,3H)-pyrimidinedione
- Hydrouracil, 1-nitroso-
- NDHU
- NO-Dhu
- Uracil, 5,6-dihydro-1-nitroso-
- N-Nitroso-5,6-dihydrouracil
- 5,6-Dihydro-1-nitrosopyrimidine-2,4(1H,3H)-dione
- 5,6-Dihydro-1-nitroso-2,4(1H,3H)-pyrimidinedione
- 5-24-05-00276 (Beilstein Handbook Reference)
- SCHEMBL3340184
- 2,4(1H,3H)-Pyrimidinedione, dihydro-1-nitroso-
- AKOS006275941
- DTXSID6020989
- WLN: T6NVMVTJ ANO
- 3MY7H215CV
- N-nitrosodihydrouracil
- NSC-90999
- NSC 90999
- 2,3H)-Pyrimidinedione, dihydro-1-nitroso-
- UNII-3MY7H215CV
- NCIOpen2_001450
- NSC90999
- 16813-36-8
-
- Inchi： 1S/C4H5N3O3/c8-3-1-2-7(6-10)4(9)5-3/h1-2H2,(H,5,8,9)
- InChI Key： NTUQAPWIPIIWLT-UHFFFAOYSA-N
- SMILES： O=C1CCN(C(N1)=O)N=O
Computed Properties
- Exact Mass: 143.03315
- Monoisotopic Mass: 143.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 190
- 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
- Topological Polar Surface Area: 78.8A^2
- XLogP3: -1.3
Experimental Properties
- Density: 1.6062 (rough estimate)
- Boiling Point: 261.16°C (rough estimate)
- Refractive Index: 1.5700 (estimate)
- PSA: 78.84
2,4(1H,3H)-Pyrimidinedione,dihydro-1-nitroso- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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