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67018-85-3

67018-85-3 structural image
Product Name: NORVERAPAMIL
Formula: C26H36N2O4
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 207.3 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 3192.2 3186.4

COMPUTED DESCRIPTORS

Molecular Weight 440.6 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 13
Exact Mass 440.26750763 g/mol
Monoisotopic Mass 440.26750763 g/mol
Topological Polar Surface Area 72.7 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 577
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile is a secondary amino compound that is 3,4-dimethoxyphenylethylamine in which one of the hydrogens attached to the nitrogen has been replaced by a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. It is an aromatic ether, a nitrile, a polyether and a secondary amino compound.