CAS No.1122-47-0,1-METHYLCYTOSIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1122-47-0
Name:	1-METHYLCYTOSIN
Article Data:	3

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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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.

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

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