N-(3-Bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine supplier

Name
Pyrido[3,4-d]pyrimidin-4-amine, N-(3-bromophenyl)-6-fluoro-
EINECS
CAS No. 171179-03-6
Article Data4
CAS DataBase
Density 1.683 g/cm³
Solubility
Melting Point
Formula C₁₃H₈BrFN₄
Boiling Point 455.993 °C at 760 mmHg
Molecular Weight 319.136
Flash Point 229.577 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3-Bromo-phenyl)-(6-fluoro-pyrido[3,4-d]pyrimidin-4-yl)-amine;
PSA
LogP

N-(3-Bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine Specification

The N-(3-Bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine, with the CAS registry number 171179-03-6, is also known as (3-Bromo-phenyl)-(6-fluoro-pyrido[3,4-d]pyrimidin-4-yl)-amine. This chemical's molecular formula is C₁₃H₈BrFN₄ and molecular weight is 319.13. What's more, its systematic name is N-(3-Bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine.

Physical properties of N-(3-Bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine are: (1)ACD/LogP: 2.963; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 104.61; (6)ACD/BCF (pH 7.4): 105.24; (7)ACD/KOC (pH 5.5): 969.29; (8)ACD/KOC (pH 7.4): 975.17; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.7 Å²; (13)Index of Refraction: 1.727; (14)Molar Refractivity: 75.428 cm³; (15)Molar Volume: 189.656 cm³; (16)Polarizability: 29.902×10^-24cm³; (17)Surface Tension: 67.9 dyne/cm; (18)Density: 1.683 g/cm³; (19)Flash Point: 229.577 °C; (20)Enthalpy of Vaporization: 71.586 kJ/mol; (21)Boiling Point: 455.993 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(c1)Nc3ncnc2c3cc(F)nc2
(2)Std. InChI: InChI=1S/C13H8BrFN4/c14-8-2-1-3-9(4-8)19-13-10-5-12(15)16-6-11(10)17-7-18-13/h1-7H,(H,17,18,19)
(3)Std. InChIKey: KRRHOFYUUHSVEQ-UHFFFAOYSA-N

Product Name

Pyrido[3,4-d]pyrimidin-4-amine, N-(3-bromophenyl)-6-fluoro-

N-(3-Bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine Specification

Related Products

Hot Products