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2-Aminopyrimidine-4-carboxylic acid

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Name

2-Aminopyrimidine-4-carboxylic acid

EINECS N/A
CAS No. 2164-65-0 Density 1.533g/cm3
PSA 89.10000 LogP 0.33820
Solubility N/A Melting Point 285 °C
Formula C5H5N3O2 Boiling Point 474.6 °C at 760 mmHg
Molecular Weight 139.114 Flash Point 240.8 °C
Transport Information N/A Appearance N/A
Safety 24/25-36/37 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 2164-65-0 (2-AMINO-PYRIMIDINE-4-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

2-Aminopyrimidine-4-carboxylicacid;NSC 61555;

 

2-Aminopyrimidine-4-carboxylic acid Specification

The 2-Aminopyrimidine-4-carboxylic acid is an organic compound with the formula C5H5N3O2. The IUPAC name of this chemical is 2-aminopyrimidine-4-carboxylic acid. With the CAS registry number 2164-65-0, it is also named as 4-Pyrimidinecarboxylic acid, 2-amino-. The product's categories are Pyrimidine; Aminoacid; Pharmacetical.

Physical properties about 2-Aminopyrimidine-4-carboxylic acid are: (1)ACD/LogP: -0.54 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 55.32 Å2; (10)Index of Refraction: 1.663; (11)Molar Refractivity: 33.6 cm3; (12)Molar Volume: 90.6 cm3; (13)Polarizability: 13.32×10-24cm3; (14)Surface Tension: 95.5 dyne/cm; (15)Density: 1.533 g/cm3; (16)Flash Point: 240.8 °C; (17)Enthalpy of Vaporization: 77.74 kJ/mol; (18)Boiling Point: 474.6 °C at 760 mmHg; (19)Vapour Pressure: 8.19E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc(ncc1)N
(2)InChI: InChI=1/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)
(3)InChIKey: GKFPFLBDQJVJIH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)
(5)Std. InChIKey: GKFPFLBDQJVJIH-UHFFFAOYSA-N

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