CAS No.136285-69-3,Ethyl-3-amino-2-[(2'-cyanoiphenyl-4-yl) methyl]-amino benzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	136285-69-3
Name:	Ethyl-3-amino-2-[(2'-cyanoiphenyl-4-yl) methyl]-amino benzoate
Article Data:	3

Formula:	C₂₃H₂₁N₃O₂
Molecular Weight:	371.43174
Synonyms:	Ethyl-3-amino-2-[(2-cyanobiphenyl-4-yl)methyl]-aminobenzoate;
EINECS:	1806241-263-5
Density:	1.248 g/cm³
Boiling Point:	587.819 °C at 760 mmHg
Flash Point:	309.302 °C
PSA:	88.14000
LogP:	5.25048

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Specification

The Ethyl-3-amino-2-[(2'-cyanoiphenyl-4-yl) methyl]-amino benzoate, with the CAS registry number 136285-69-3, is also known as Ethyl-3-amino-2-[(2-cyanobiphenyl-4-yl)methyl]-aminobenzoate. It belongs to the product category of Candesartan. This chemical's molecular formula is C₂₃H₂₁N₃O₂ and molecular weight is 371.43174. What's more, its systematic name is Ethyl 3-amino-2-[(3-cyano-4-phenyl-phenyl)methylamino]benzoate.

Physical properties about Ethyl-3-amino-2-[(2'-cyanoiphenyl-4-yl) methyl]-amino benzoate are: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.562; (4)ACD/LogD (pH 7.4): 4.582; (5)ACD/BCF (pH 5.5): 1708.027; (6)ACD/BCF (pH 7.4): 1786.464; (7)ACD/KOC (pH 5.5): 7076.247; (8)ACD/KOC (pH 7.4): 7401.202; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 88.14 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 108.376 cm³; (15)Molar Volume: 297.521 cm³; (16)Polarizability: 42.964×10^-24 cm³; (17)Surface Tension: 62.741 dyne/cm; (18)Density: 1.248 g/cm³; (19)Flash Point: 309.302 °C; (20)Enthalpy of Vaporization: 87.76 kJ/mol; (21)Boiling Point: 587.819 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Uses of Ethyl-3-amino-2-[(2'-cyanoiphenyl-4-yl) methyl]-amino benzoate: it is used to produce other chemicals. For example, it is used to produce 3-Amino-2-[(2'-cyano-biphenyl-4-ylmethyl)-amino]-benzoic acid ethyl ester by heating. This reaction needs reagents ethanol and sodium salt. Meanwhile, it needs solvent ethanol. The reaction time is 1.5 hours. The yield is about 78 %.

Ethyl-3-amino-2-[(2'-cyanoiphenyl-4-yl) methyl]-amino benzoate can be used to produce 3-Amino-2-[(2'-cyano-biphenyl-4-ylmethyl)-amino]-benzoic acid ethyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cccc(c1NCc2ccc(c(c2)C#N)c3ccccc3)N
(2) InChI: InChI=1/C23H21N3O2/c1-2-28-23(27)20-9-6-10-21(25)22(20)26-15-16-11-12-19(18(13-16)14-24)17-7-4-3-5-8-17/h3-13,26H,2,15,25H2,1H3
(3) InChIKey: NGOLKMUTRWQQNW-UHFFFAOYAS