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4-Pyrimidinecarboxylicacid, 6-amino-

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Name

4-Pyrimidinecarboxylicacid, 6-amino-

EINECS N/A
CAS No. 38214-46-9 Density 1.533 g/cm3
PSA 89.10000 LogP 0.33820
Solubility N/A Melting Point N/A
Formula C5H5N3O2 Boiling Point 436.9 °C at 760 mmHg
Molecular Weight 139.114 Flash Point 218 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 38214-46-9 (6-AMINO-PYRIMIDINE-4-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

6-Carboxy-4-pyrimidinamine;

 

4-Pyrimidinecarboxylicacid, 6-amino- 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

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