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Home > Encyclopedia > Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (8α,9R)-

Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (8α,9R)-

Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (8α,9R)- structure

Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (8α,9R)- 

structure
  • CAS No:

    69257-04-1

  • Formula:

    C26H29N2O.Cl

  • Chemical Name:

    Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (8α,9R)-

  • Synonyms:

    Cinchonanium,9-hydroxy-1-(phenylmethyl)-,chloride,(8α,9R)-;(-)-1-Benzylcinchonidinium chloride;1-Benzylcinchonidinium chloride;(-)-N-Benzylcinchonidinium chloride;N-Benzylcinchonidinium chloride;(8S,9R)-(-)-N-Benzylcinchonidinium chloride;(-)-N-Benzylcinchonadinium chloride;343264-80-2;1219106-93-0;1231926-70-7

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

white to light yellow crystal powde

Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (8α,9R)- Basic Attributes

420.97

420.196838

273-938-3

29392000

Characteristics

33.1 Ų

210 °C (dec.)(lit.)

-184 ° (C=1, H2O)

-188 º (c=0.4% in H2O)

Safety Information

UN 2811

3

36/37/38

26-36

Xi

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:421.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:420.1968412
Monoisotopic Mass:420.1968412
Topological Polar Surface Area:33.1
Heavy Atom Count:30
Complexity:573
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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