CAS No.15400-54-1,ETHYL 2,4-DIAMINO-PYRIMIDINE-5-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15400-54-1
Name:	ETHYL 2,4-DIAMINO-PYRIMIDINE-5-CARBOXYLATE

Formula:	C₇H₁₀N₄O₂
Molecular Weight:	182.182
Synonyms:	NSC 9314;
Density:	1.351 g/cm³
Boiling Point:	413.882 °C at 760 mmHg
Flash Point:	204.109 °C
PSA:	104.12000
LogP:	0.98010

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Specification

The 5-Pyrimidinecarboxylicacid, 2,4-diamino-, ethyl ester is an organic compound with the formula C₇H₁₀N₄O₂. The IUPAC name of this chemical is Ethyl 2,4-diaminopyrimidine-5-carboxylate. And the CAS registry number of this chemical is 15400-54-1. The product's categories are Building Blocks; Pyrimidine. Besides, its molecular weight is 182.18.

Physical properties about 5-Pyrimidinecarboxylicacid, 2,4-diamino-, ethyl ester are: (1)ACD/LogP: 1.01; (2)ACD/LogD (pH 5.5): 0.843; (3)ACD/LogD (pH 7.4): 1.002; (4)ACD/BCF (pH 5.5): 2.352; (5)ACD/BCF (pH 7.4): 3.398; (6)ACD/KOC (pH 5.5): 57.719; (7)ACD/KOC (pH 7.4): 83.397; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 104.12 Å²; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 47.314 cm³; (14)Molar Volume: 134.841 cm³; (15)Polarizability: 18.757×10^-24 cm³; (16)Surface Tension: 71.331 dyne/cm; (17)Density: 1.351 g/cm³; (18)Flash Point: 204.109 °C; (19)Enthalpy of Vaporization: 66.673 kJ/mol; (20)Boiling Point: 413.882 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H10N4O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H4,8,9,10,11)
(2)InChIKey: MANFWSKJPOXKJZ-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C7H10N4O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H4,8,9,10,11)
(4)Std. InChIKey: MANFWSKJPOXKJZ-UHFFFAOYSA-N