CAS No.38214-46-9,6-AMINO-PYRIMIDINE-4-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38214-46-9
Name:	6-AMINO-PYRIMIDINE-4-CARBOXYLIC ACID

Formula:	C₅H₅N₃O₂
Molecular Weight:	139.114
Synonyms:	6-Carboxy-4-pyrimidinamine;
Density:	1.533 g/cm³
Boiling Point:	436.9 °C at 760 mmHg
Flash Point:	218 °C
PSA:	89.10000
LogP:	0.33820

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Specification

The 4-Pyrimidinecarboxylicacid, 6-amino-, with the CAS registry number 38214-46-9, is also known as 6-Carboxy-4-pyrimidinamine. It belongs to the product categories of Aminoacid; Pyrimidine. This chemical's molecular formula is C₅H₅N₃O₂ and molecular weight is 139.11. What's more, its IUPAC name is 6-Aminopyrimidine-4-carboxylic acid.

Physical properties about 4-Pyrimidinecarboxylicacid, 6-amino- are: (1)ACD/LogP: -0.40; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 55.32 Å²; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 33.6 cm³; (13)Molar Volume: 90.6 cm³; (14)Polarizability: 13.32×10^-24 cm³; (15)Surface Tension: 95.5 dyne/cm; (16)Density: 1.533 g/cm³; (17)Flash Point: 218 °C; (18)Enthalpy of Vaporization: 73.09 kJ/mol; (19)Boiling Point: 436.9 °C at 760 mmHg; (20)Vapour Pressure: 2.09E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ncnc(N)c1
(2) InChI: InChI=1/C5H5N3O2/c6-4-1-3(5(9)10)7-2-8-4/h1-2H,(H,9,10)(H2,6,7,8)
(3) InChIKey: KXPKWHNZKVLCRR-UHFFFAOYAE