3-(2-Aminopyrimidin-5-yl)benzoic acid supplier

Name
3-(2-Aminopyrimidin-5-yl)benzoic acid
EINECS 604-604-1
CAS No. 914349-45-4
Density 1.379 g/cm³
Solubility
Melting Point
Formula C₁₁H₉N₃O₂
Boiling Point 552.7 °C at 760 mmHg
Molecular Weight 215.21
Flash Point 288.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(2-Aminopyrimidin-5-yl)benzoic acid;
PSA 89.10000
LogP 2.00520

3-(2-Aminopyrimidin-5-yl)benzoic acid Specification

The 3-(2-Aminopyrimidin-5-yl)benzoic acid with the CAS number 914349-45-4 is also called Benzoic acid,3-(2-amino-5-pyrimidinyl)-. Its molecular formula is C₁₁H₉N₃O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3-(2-Aminopyrimidin-5-yl)benzoic acid are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 89.1 Å²; (7)Index of Refraction: 1.668; (8)Molar Refractivity: 58.19 cm³; (9)Molar Volume: 155.9 cm³; (10)Polarizability: 23.06×10^-24cm³; (11)Surface Tension: 73.6 dyne/cm; (12)Enthalpy of Vaporization: 87.69 kJ/mol; (13)Vapour Pressure: 4.75×10^-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)C(=O)O)c2cnc(nc2)N
(2)InChI: InChI=1/C11H9N3O2/c12-11-13-5-9(6-14-11)7-2-1-3-8(4-7)10(15)16/h1-6H,(H,15,16)(H2,12,13,14)
(3)InChIKey: QFVFXTMOJRFRPF-UHFFFAOYAM

Product Name

3-(2-Aminopyrimidin-5-yl)benzoic acid

3-(2-Aminopyrimidin-5-yl)benzoic acid Specification

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