Valesteramide supplier | CasNO.137864-22-3

Name
Valesteramide
EINECS
CAS No. 137864-22-3
Article Data6
CAS DataBase
Density 1.147 g/cm³
Solubility
Melting Point
Formula C₃₁H₃₄N₂O₃
Boiling Point 657.065 °C at 760 mmHg
Molecular Weight 482.623
Flash Point 351.181 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[2'-cyano-biphenyl-4-yl methyl]-N-valeryl-(L)-valine benzyl ester;
PSA
LogP

Valesteramide Specification

The Valesteramide, with the CAS registry number 137864-22-3, is also known as N-[2'-Cyano-biphenyl-4-yl methyl]-N-valeryl-(L)-valine benzyl ester. This chemical's molecular formula is C₃₁H₃₄N₂O₃ and molecular weight is 482.6133. Its systematic name is called benzyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-3-methyl-butanoate.

Physical properties of Valesteramide: (1)ACD/LogP: 6.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.711; (4)ACD/LogD (pH 7.4): 6.711; (5)ACD/BCF (pH 5.5): 74221.734; (6)ACD/BCF (pH 7.4): 74221.734; (7)ACD/KOC (pH 5.5): 106636.633; (8)ACD/KOC (pH 7.4): 106636.633; (9)#H bond acceptors: 5; (10)#Freely Rotating Bonds: 12; (11)Index of Refraction: 1.591; (12)Molar Refractivity: 142.112 cm³; (13)Molar Volume: 420.711 cm³; (14)Surface Tension: 52.216 dyne/cm; (15)Density: 1.147 g/cm³; (16)Flash Point: 351.181 °C; (17)Enthalpy of Vaporization: 96.74 kJ/mol; (18)Boiling Point: 657.065 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2C#N)[C@@H](C(C)C)C(=O)OCc3ccccc3
(2)InChI: InChI=1/C31H34N2O3/c1-4-5-15-29(34)33(30(23(2)3)31(35)36-22-25-11-7-6-8-12-25)21-24-16-18-26(19-17-24)28-14-10-9-13-27(28)20-32/h6-14,16-19,23,30H,4-5,15,21-22H2,1-3H3/t30-/m0/s1
(3)InChIKey: AYZFVKWRZGNQNU-PMERELPUBT

Product Name

Valesteramide

Valesteramide Specification

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