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| CAS No.: | 6972-78-7 |
|---|---|
| Name: | 6-AMINO-1-METHYL-5-NITROSOURACIL |
| Molecular Structure: | |
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|
|
| Formula: | C5H6 N4 O3 |
| Molecular Weight: | 170.128 |
| Synonyms: | Uracil,6-amino-1-methyl-5-nitroso- (7CI);3-Methyl-4-amino-5-nitrosouracil;6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione;6-Amino-1-methyl-5-nitrosopyrimidine-2,4-dione;6-Amino-1-methyl-5-nitrosouracil;NSC 62582; |
| EINECS: | 230-213-6 |
| Density: | 1.83 |
| Melting Point: |
>300 °C(lit.) |
| Appearance: | crystalline powder |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 110.31000 |
| LogP: | -0.36510 |
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- Total:35 Page 1 of 1 1
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Specification
The 2,4(1H,3H)-Pyrimidinedione,6-amino-1-methyl-5-nitroso-, with the cas register number 6972-78-7, has its IUPAC name of 6-amino-1-methyl-5-nitrosopyrimidine-2,4-dionepurple. And it is a kind of crystalline powder.
The characteristics of this chemical are as below: (1)XLogP3-AA: -1.1; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 5; (4)Tautomer Count: 11; (5)Exact Mass: 170.04399; (6)MonoIsotopic Mass: 170.04399; (7)Topological Polar Surface Area: 105; (8)Heavy Atom Count: 12; (9)Formal Charge: 0; (10)Complexity: 295; (11)Covalently-Bonded Unit Count: 1.
You should be cautious while dealing with this chemical. It is irritating to eyes, respiratory system and skin, and may cause inflammation to the skin or other mucous. So you had better take the following instructions. Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
The following datas could be converted into the molecular structure:
(1)Canonical SMILES: CN1C(=C(C(=O)NC1=O)N=O)N
(2)InChI: InChI=1S/C5H6N4O3/c1-9-3(6)2(8-12)4(10)7-5(9)11/h6H2,1H3,(H,7,10,11)
(3)InChIKey: AHOWVSJPUQTRNN-UHFFFAOYSA-N