CAS No.874902-19-9,5-[[(1,1'-BIPHENYL)-4-YL]METHYL]-N,N-DIMETHYL-1H-TETRAZOLE-1-CARBOXAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	874902-19-9
Name:	5-[[(1,1'-BIPHENYL)-4-YL]METHYL]-N,N-DIMETHYL-1H-TETRAZOLE-1-CARBOXAMIDE
Article Data:	4

Formula:	C₁₇H₁₇N₅O
Molecular Weight:	307.355
Synonyms:	LY 2183240;5-(Biphenyl-4-ylmethyl)-N,N-dimethyl-1H-tetrazole-1-carboxamide;1H-Tetrazole-1-carboxamide,5-([1,1'-biphenyl]-4-ylmethyl)-N,N-dimethyl-;
Density:	1.22 g/cm³
Melting Point:	87-88℃
Boiling Point:	506.103 °C at 760 mmHg
Flash Point:	259.882 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	63.91000
LogP:	2.46060

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Specification

LY-2183240 is an organic compound with the formula C₁₇H₁₇N₅O, and its systematic name is the same with the product name. With the CAS registry number 874902-19-9, it is also named as 5-(Biphenyl-4-ylmethyl)-N,N-dimethyl-1H-tetrazole-1-carboxamide. In addition, the molecular weight is 307.35.

Physical properties of LY-2183240 are: (1)ACD/LogP: 2.146; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.16; (6)ACD/BCF (pH 7.4): 25.16; (7)ACD/KOC (pH 5.5): 350.13; (8)ACD/KOC (pH 7.4): 350.13; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.91 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 90.802 cm³; (15)Molar Volume: 251.987 cm³; (16)Polarizability: 35.997×10^-24cm³; (17)Surface Tension: 48.34 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 259.882 °C; (20)Enthalpy of Vaporization: 77.592 kJ/mol; (21)Boiling Point: 506.103 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(n1nnnc1Cc3ccc(c2ccccc2)cc3)N(C)C
(2)Std. InChI: InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
(3)Std. InChIKey: GZNIYOXWFCDBBJ-UHFFFAOYSA-N