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| CAS No.: | 1122-47-0 |
|---|---|
| Name: | 1-METHYLCYTOSIN |
| Molecular Structure: | |
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| Formula: | C5H7N3O |
| Molecular Weight: | 125.13 |
| Synonyms: | Cytosine,1-methyl- (6CI,8CI);1-Methylcytosine;N1-Methylcytosine;NSC 47693; |
| Density: | 1.346 g/cm3 |
| Melting Point: | 300-303℃ |
| Boiling Point: | 241.576 °C at 760 mmHg |
| Flash Point: | 99.902 °C |
| PSA: | 60.91000 |
| LogP: | -0.05630 |
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- Total:23 Page 1 of 1 1
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Specification
This chemical is called 2(1H)-Pyrimidinone,4-amino-1-methyl-, and its IUPAC name is 4-amino-1-methylpyrimidin-2(1H)-one. With the molecular formula of C5H7N3O, its molecular weight is 125.1286. The CAS registry number of this chemical is 1122-47-0.
Other characteristics of the 2(1H)-Pyrimidinone,4-amino-1-methyl- can be summarised as followings: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.357; (4)ACD/LogD (pH 7.4): 0.401; (5)ACD/BCF (pH 5.5): 1.074; (6)ACD/BCF (pH 7.4): 1.187; (7)ACD/KOC (pH 5.5): 35.58; (8)ACD/KOC (pH 7.4): 39.336; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 58.69 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 32.626 cm3; (15)Molar Volume: 92.953 cm3; (16)Polarizability: 12.934×10-24cm3; (17)Surface Tension: 53.84 dyne/cm; (18)Density: 1.346 g/cm3; (19)Flash Point: 99.902 °C; (20)Enthalpy of Vaporization: 47.853 kJ/mol; (21)Boiling Point: 241.576 °C at 760 mmHg; (22)Vapour Pressure: 0.036 mmHg at 25°C.
Uses of this chemical: The 2(1H)-Pyrimidinone,4-amino-1-methyl- could react with phenylhydrazine to obtain the 1-methyl-4-(N'-phenyl-hydrazino)-1H-pyrimidin-2-one. This reaction needs the reagent of H2O, and the solvent of acetic acid. The yield is 45 %. The other condition is heating.
-Pyrimidinone,4-amino-1-methyl-.jpg)
You can still convert the following datas into molecular structure:
1.SMILES: Cn1ccc(nc1=O)N
2.InChI: InChI=1/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9)
3.InChIKey: HWPZZUQOWRWFDB-UHFFFAOYAV