CAS No.3289-47-2,4-Pyrimidinamine, 2-methoxy- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3289-47-2
Name:	4-Pyrimidinamine, 2-methoxy- (9CI)
Article Data:	18

Formula:	C₅H₇N₃O
Molecular Weight:	125.13
Synonyms:	Pyrimidine,4-amino-2-methoxy- (6CI,7CI,8CI);2-Methoxy-4-pyrimidinamine;2-Methoxycytosine;2-O-Methylcytosine;4-Amino-2-methoxypyrimidine;
Density:	1.224 g/cm³
Melting Point:	174 °C
Boiling Point:	294.4 °C at 760 mmHg
Flash Point:	131.9 °C
Hazard Symbols:	Xn
Risk Codes:	22-36-36/37/38-20/21/22
Safety:	26-36/37/39
PSA:	61.03000
LogP:	0.64860

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Specification

The 4-Pyrimidinamine,2-methoxy-, with the CAS registry number 3289-47-2, is also known as 2-Methoxy-pyrimidin-4-ylamine. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₅H₇N₃O and molecular weight is 125.12858. What's more, its IUPAC name and systematic name are the same which is called 2-Methoxypyrimidin-4-amine.

Physical properties about 4-Pyrimidinamine,2-methoxy-: (1)ACD/LogP: -1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.82; (8)ACD/KOC (pH 7.4): 6.24; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.25 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 33.35 cm³; (15)Molar Volume: 102.1 cm³; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.224 g/cm³; (18)Flash Point: 131.9 °C; (19)Enthalpy of Vaporization: 53.41 kJ/mol; (20)Boiling Point: 294.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00162 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1nc(N)ccn1)C
(2)InChI: InChI=1/C5H7N3O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3,(H2,6,7,8)
(3)InChIKey: DHYLZDVDOQLEAQ-UHFFFAOYAR