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6630-66-6

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Basic Information
CAS No.: 6630-66-6
Name: CHEMBRDG-BB 4004177
Molecular Structure:
Molecular Structure of 6630-66-6 (CHEMBRDG-BB 4004177)
Formula: C6H7N3O2
Molecular Weight: 153.14
Synonyms: TIMTEC-BB SBB010338;CHEMBRDG-BB 4004177;2-AMINO-6-METHYL-PYRIMIDINE-4-CARBOXYLIC ACID;OTAVA-BB 1146586;2-amino-6-methylpyrimidine-4-carboxylic acid(SALTDATA: FREE)
Density: 1.431 g/cm3
Boiling Point: 456.4 °C at 760 mmHg
Flash Point: 229.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 26
PSA: 89.10000
LogP: 0.64660
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Specification

The CAS registry number of 4-Pyrimidinecarboxylicacid, 2-amino-6-methyl- is 6630-66-6. This chemical's molecular formula is C6H7N3O2 and molecular weight is 153.14. What's more, its IUPAC name is 2-Amino-6-methylpyrimidine-4-carboxylic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Pyrimidinecarboxylicacid, 2-amino-6-methyl- are: (1)ACD/LogP: -0.08; (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: 1.637; (12)Molar Refractivity: 38.42 cm3; (13)Molar Volume: 106.9 cm3; (14)Polarizability: 15.23×10-24 cm3; (15)Surface Tension: 81.2 dyne/cm; (16)Density: 1.431 g/cm3; (17)Flash Point: 229.8 °C; (18)Enthalpy of Vaporization: 75.48 kJ/mol; (19)Boiling Point: 456.4 °C at 760 mmHg; (20)Vapour Pressure: 4.03E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1nc(nc(c1)C)N
(2) InChI: InChI=1/C6H7N3O2/c1-3-2-4(5(10)11)9-6(7)8-3/h2H,1H3,(H,10,11)(H2,7,8,9)
(3) InChIKey: RBPODCKCNCOCMQ-UHFFFAOYAS