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Home > Encyclopedia > 1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine,2-hydroxypropane-1,2,3-tricarboxylic acid

1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine,2-hydroxypropane-1,2,3-tricarboxylic acid

1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine,2-hydroxypropane-1,2,3-tricarboxylic acid structure

1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine,2-hydroxypropane-1,2,3-tricarboxylic acid 

structure
  • CAS No:

    81320-23-2

  • Formula:

    C26H30ClNO9

  • Chemical Name:

    1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine,2-hydroxypropane-1,2,3-tricarboxylic acid

  • Synonyms:

    N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate; N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French]; Piperidine,1-(2-(3-chloro-11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-,2-hydroxy-1,2,3-propanetricarboxylate (1:1); 1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine;

1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine,2-hydroxypropane-1,2,3-tricarboxylic acid Basic Attributes

535.97100

535.1609092

Characteristics

153.83000

4.13120

451ºC

226ºC

Computed Properties

Molecular Weight:536.0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:535.1609092
Monoisotopic Mass:535.1609092
Topological Polar Surface Area:154
Heavy Atom Count:37
Complexity:629
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Guide of 1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine,2-hydroxypropane-1,2,3-tricarboxylic acid

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