Basic information
- CAS
58537-55-6- Standard SMILES
Cn1c(N)c(N=O)c(=O)n(C)c1=O- InChIKey
MGBDANYXBKROBW-UHFFFAOYSA-N- Molecular formula
- C6H8N4O3
- Average molar mass
- 184.15 g/mol
- Monoisotopic mass
- 184.05964012
Names & identifiers
- Preferred name
- 6-Amino-1,3-dimethyl-5-nitrosouracil
- IUPAC
- 6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione
- English name
- 6-Amino-1,3-dimethyl-5-nitrosouracil
- Molecular formula
- C6H8N4O3
- Molecular weight
- 184.15
Names & synonyms
6632-68-46-Amino-1,3-dimethyl-5-nitrosouracil6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione1,3-Dimethyl-4-amino-5-nitrosouracil1,3-Dimethyl-6-amino-5-nitrosouracil4-Amino-1,3-dimethyl-5-nitrosouracilUracil, 6-amino-1,3-dimethyl-5-nitroso-NSC 41585DTXSID8029280BRN 018095561X94ZW9M72,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-5-nitroso-
Show more names
danuUracil ImpurityUracil Impurity 6CBI-BB ZERO/005172SPECS AF-407/012300266-Amino-1,3-dimethyl-LABOTEST-BB LT00068524Theophylline Impurity JWLN: T6NVNVJ A1 C1 ENO FZ
EINECS 229-629-0NSC 11775NSC 41832NSC 42306NSC-423066-Amino-1,3-dimethyl-5-nitroso-2,4(1H,3H)-pyrimidinedioneAI3-52908NSC-11775
Database identifiers
- CAS
58537-55-6、6632-68-4
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
Solubility>27.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 241 · 241-243°C
- Boiling point
- 240.8 · 240.8±50.0℃ (760 Torr)
- Density
- 1.61 · 1.61±0.1 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.65 · 1.6500 (estimate)
- Flash point
- 99.5 · 99.5±30.1℃
- storage temp.
- 20 °C · −20°C
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 1.16 · 1.16±0.70(Predicted)
- form
- Solid
- color
- Pink to Purple
- Stability
- Hygroscopic
- InChI
- InChI=1S/C6H8N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h7H2,1-2H3
- InChIKey
- MGBDANYXBKROBW-UHFFFAOYSA-N
Safety & regulation
GHS classification
GHS Classification
Warning
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YQ8780000
- risk_code
- 40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard statements
- H351
- Precautionary statements
- P281
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-5-nitroso-: ACTIVE
Applications
Uses4-Amino-1,3-dimethyl-5-nitrosouracil is a useful building block for organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers11 total
济南百隆化学有限公司[email protected] · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京奕明医药科技有限公司
Related reactions
4 records
Compound notes
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