CAS No.500579-04-4,2,2'-[[Dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl]bis(methylene)]bis[N,N-dimethylbenzenamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	500579-04-4
Name:	2,2'-[[Dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl]bis(methylene)]bis[N,N-dimethylbenzenamine

Formula:	C₂₇H₃₅N₅
Molecular Weight:	429.60
Synonyms:	2-((3-(2-(Dimethylamino)benzyl)-2-(4-pyridinyl)tetrahydro-1(2H)-pyrimidinyl)methyl)-N,N-dimethylaniline;
Density:	1.135 g/cm³
Boiling Point:	548.999 °C at 760 mmHg
Flash Point:	285.825 °C
PSA:	25.85000
LogP:	4.49610

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Specification

The 2,2'-{[2-(4-Pyridinyl)dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}bis(N,N-dimethylaniline), with the CAS registry number 500579-04-4, is also known as 2-((3-(2-(Dimethylamino)benzyl)-2-(4-pyridinyl)tetrahydro-1(2H)-pyrimidinyl)methyl)-N,N-dimethylaniline. This chemical's molecular formula is C₂₇H₃₅N₅ and molecular weight is 429.60. What's more, its systematic name is 2,2'-{[2-(4-Pyridinyl)dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}bis(N,N-dimethylaniline).

Physical properties of 2,2'-{[2-(4-Pyridinyl)dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}bis(N,N-dimethylaniline) are: (1)ACD/LogP: 4.867; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.06; (4)ACD/LogD (pH 7.4): 4.85; (5)ACD/BCF (pH 5.5): 454.43; (6)ACD/BCF (pH 7.4): 2841.02; (7)ACD/KOC (pH 5.5): 1633.70; (8)ACD/KOC (pH 7.4): 10213.58; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 25.85 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 135.076 cm³; (15)Molar Volume: 378.572 cm³; (16)Polarizability: 53.548×10^-24cm³; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.135 g/cm³; (19)Flash Point: 285.825 °C; (20)Enthalpy of Vaporization: 82.872 kJ/mol; (21)Boiling Point: 548.999 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)c1ccccc1CN2CCCN(C2c3ccncc3)Cc4ccccc4N(C)C
(2)Std. InChI: InChI=1S/C27H35N5/c1-29(2)25-12-7-5-10-23(25)20-31-18-9-19-32(27(31)22-14-16-28-17-15-22)21-24-11-6-8-13-26(24)30(3)4/h5-8,10-17,27H,9,18-21H2,1-4H3
(3)Std. InChIKey: KVQOGDQTWWCZFX-UHFFFAOYSA-N