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55684-37-2

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Basic Information
CAS No.: 55684-37-2
Name: N-(4,6-dimethylpyrimidin-2-yl)glycine
Molecular Structure:
Molecular Structure of 55684-37-2 (N-(4,6-dimethylpyrimidin-2-yl)glycine)
Formula: C8H11N3O2
Molecular Weight: 181.1918
Synonyms: N-(4,6-Dimethylpyrimidin-2-yl)glycine;NSC 222816;
Density: 1.303 g/cm3
Boiling Point: 400.6 °C at 760 mmHg
Flash Point: 196 °C
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Specification

The Glycine, N-(4, 6-dimethyl-2-pyrimidinyl)-, with the CAS registry number 55684-37-2, is also known as N-(4, 6-Dimethylpyrimidin-2-yl)glycine. This chemical's molecular formula is C8H11N3O2 and molecular weight is 181.1918. What's more, its IUPAC name is 2-[(4, 6-Dimethylpyrimidin-2-yl)amino]acetic acid.

Physical properties about Glycine, N-(4, 6-dimethyl-2-pyrimidinyl)- are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.36; (4)ACD/LogD (pH 7.4): -2.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.32 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 47.89 cm3; (15)Molar Volume: 139 cm3; (16)Polarizability: 18.98×10-24 cm3; (17)Surface Tension: 62.7 dyne/cm; (18)Density: 1.303 g/cm3; (19)Flash Point: 196 °C; (20)Enthalpy of Vaporization: 68.7 kJ/mol; (21)Boiling Point: 400.6 °C at 760 mmHg; (22)Vapour Pressure: 3.9E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CNc1nc(cc(n1)C)C
(2) InChI: InChI=1/C8H11N3O2/c1-5-3-6(2)11-8(10-5)9-4-7(12)13/h3H,4H2,1-2H3,(H,12,13)(H,9,10,11)
(3) InChIKey: QRKUBNPZXCXYKE-UHFFFAOYAA