Benzenemethanamine,4-[2,2':6',2''-terpyridin]-4'-yl- supplier

Name
1-[4-(2,2':6',2''-TERPYRIDIN-4'-YL)PHENYL]METHANAMINE
EINECS
CAS No. 526196-33-8
Article Data2
CAS DataBase
Density 1.187 g/cm³
Solubility
Melting Point
Formula C₂₂H₁₈N₄
Boiling Point 524 °C at 760 mmHg
Molecular Weight 338.41
Flash Point 303.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]methanamin;
PSA 64.69000
LogP 5.03160

Benzenemethanamine,4-[2,2':6',2''-terpyridin]-4'-yl- Specification

The Benzenemethanamine, 4-[2, 2': 6', 2''-terpyridin]-4'-yl-, with the CAS registry number 526196-33-8, is also known as 1-[4-(2, 2': 6', 2''-Terpyridin-4'-yl)phenyl]methanamin. This chemical's molecular formula is C₂₂H₁₈N₄ and molecular weight is 338.41. What's more, its systematic name is 1-[4-(2, 2': 6', 2''-Terpyridin-4'-yl)phenyl]methanamine.

Physical properties about Benzenemethanamine, 4-[2, 2': 6', 2''-terpyridin]-4'-yl- are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 2.1; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 64.69 Å²; (9)Index of Refraction: 1.64; (10)Molar Refractivity: 102.75 cm³; (11)Molar Volume: 284.9 cm³; (12)Polarizability: 40.73×10^-24 cm³; (13)Surface Tension: 54.9 dyne/cm; (14)Density: 1.187 g/cm³; (15)Flash Point: 303.8 °C; (16)Enthalpy of Vaporization: 79.78 kJ/mol; (17)Boiling Point: 524 °C at 760 mmHg; (18)Vapour Pressure: 4.49E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccnc(c1)c2cc(cc(n2)c3ccccn3)c4ccc(cc4)CN
(2) InChI: InChI=1/C22H18N4/c23-15-16-7-9-17(10-8-16)18-13-21(19-5-1-3-11-24-19)26-22(14-18)20-6-2-4-12-25-20/h1-14H,15,23H2
(3) InChIKey: LFIAAHZVGJBSMH-UHFFFAOYAJ

Product Name

1-[4-(2,2':6',2''-TERPYRIDIN-4'-YL)PHENYL]METHANAMINE

Benzenemethanamine,4-[2,2':6',2''-terpyridin]-4'-yl- Specification

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