CAS No.40929-49-5,5-Pyrimidinecarboxamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40929-49-5
Name:	5-Pyrimidinecarboxamide
Article Data:	12

Formula:	C₅H₅N₃O
Molecular Weight:	123.114
Synonyms:	NSC 523449;
Density:	1.301 g/cm³
Boiling Point:	363.2 °C at 760 mmHg
Flash Point:	173.5 °C
PSA:	68.87000
LogP:	0.27580

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Specification

The 5-Pyrimidinecarboxamide, with CAS registry number 40929-49-5, belongs to the following product categories: (1)Amide; (2)Pyrimidine. It has the systematic name of pyrimidine-5-carboxamide. And the chemical formula of this chemical is C₅H₅N₃O.

Physical properties of 5-Pyrimidinecarboxamide: (1)ACD/LogP: -0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 7.53; (6)ACD/KOC (pH 7.4): 7.53; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.09 Å²; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 31.36 cm³; (13)Molar Volume: 94.5 cm³; (14)Polarizability: 12.43×10^-24cm³; (15)Surface Tension: 66.4 dyne/cm; (16)Density: 1.301 g/cm³; (17)Flash Point: 173.5 °C; (18)Enthalpy of Vaporization: 60.93 kJ/mol; (19)Boiling Point: 363.2 °C at 760 mmHg; (20)Vapour Pressure: 1.83E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1cncnc1
(2)InChI: InChI=1/C5H5N3O/c6-5(9)4-1-7-3-8-2-4/h1-3H,(H2,6,9)
(3)InChIKey: QDXGKRWDQCEABB-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H5N3O/c6-5(9)4-1-7-3-8-2-4/h1-3H,(H2,6,9)
(5)Std. InChIKey: QDXGKRWDQCEABB-UHFFFAOYSA-N