2-Pyrimidinecarboxylicacid, 5-amino- supplier

Name
5-AMINO-PYRIMIDINE-2-CARBOXYLIC ACID
EINECS
CAS No. 56621-98-8
Article Data2
CAS DataBase
Density 1.533 g/cm³
Solubility
Melting Point 270-274 °C (decomp)
Formula C₅H₅N₃O₂
Boiling Point 484.8 °C at 760 mmHg
Molecular Weight 139.114
Flash Point 247 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-2-pyrimidinecarboxylicacid;
PSA 89.10000
LogP 0.33820

2-Pyrimidinecarboxylicacid, 5-amino- Specification

The CAS register number of 2-Pyrimidinecarboxylicacid, 5-amino- is 56621-98-8. The IUPAC name about this chemical is 5-aminopyrimidine-2-carboxylic acid. The molecular formula about this chemical is C₅H₅N₃O₂ and the molecular weight is 139.11. It belongs to the following product categories which include Aminoacid; Pyrimidine; Amino Acids and Derivatives; Heterocycles; Pharmacetical and so on.

Physical properties about 2-Pyrimidinecarboxylicacid, 5-amino- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 89.1Å²; (9)Index of Refraction: 1.663; (10)Molar Refractivity: 33.6 cm³; (11)Molar Volume: 90.6 cm³; (12)Polarizability: 13.32x10^-24cm³; (13)Surface Tension: 95.5 dyne/cm; (14)Flash Point: 247 °C; (15)Enthalpy of Vaporization: 79.02 kJ/mol; (16)Boiling Point: 484.8 °C at 760 mmHg; (17)Vapour Pressure: 3.26E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cnc(nc1)C(=O)O
(2)InChI: InChI=1/C5H5N3O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2H,6H2,(H,9,10)
(3)InChIKey: GFQGXKOUBNWXJA-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H5N3O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2H,6H2,(H,9,10)
(5)Std. InChIKey: GFQGXKOUBNWXJA-UHFFFAOYSA-N

Product Name

5-AMINO-PYRIMIDINE-2-CARBOXYLIC ACID

2-Pyrimidinecarboxylicacid, 5-amino- Specification

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