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211915-84-3

Basic Information
CAS No.: 211915-84-3
Name: 3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
Molecular Structure:
Molecular Structure of 211915-84-3 (3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester)
Formula: C27H26N6O3
Molecular Weight: 482.53
Synonyms: Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido;
EINECS: 1592732-453-0
Density: 1.255 g/cm3
Melting Point:
Boiling Point: 756.382 °C at 760 mmHg
Flash Point: 411.245 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 113.14000
LogP: 4.12508
Downstream Products
211915-06-9
872728-81-9
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Chemistry

Following is the structure of 1Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido (CAS NO.211915-84-3):
                  
Empirical Formula: C27H26N6O3
Molecular Weight: 482.5337 
Index of Refraction: 1.64
Molar Refractivity: 138.5 cm3
Molar Volume: 384.44 cm3
Density: 1.255 g/cm3
Flash Point: 411.245 °C
Polarizability: 54.906 10-24cm3
Surface Tension: 51.091 dyne/cm
Enthalpy of Vaporization: 110.2 kJ/mol
Boiling Point: 756.382 °C at 760 mmHg
SMILES: O=C(OCC)CCN(c1ncccc1)C(=O)c4ccc2c(nc(n2C)CNc3ccc(C#N)cc3)c4
InChI: InChI=1/C27H26N6O3/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21/h4-12,14,16,30H,3,13,15,18H2,1-2H3
InChIKey: OZBOESGNDSVMDK-UHFFFAOYAB

Specification

 Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido , its cas register number 211915-84-3. It also can be called beta-Alanine, N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester .