Cas no 69221-14-3 ((S)-[(1S,2R,4S,5R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol;chloride)

(S)-[(1S,2R,4S,5R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol;chloride structure
69221-14-3 structure
Product Name:(S)-[(1S,2R,4S,5R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol;chloride
CAS No:69221-14-3
MF:C26H29ClN2O
MW:420.974265813828
MDL:MFCD00082423
CID:510752
PubChem ID:24862625
Update Time:2025-04-19

(S)-[(1S,2R,4S,5R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol;chloride Chemical and Physical Properties

Names and Identifiers

    • Cinchonanium,9-hydroxy-1-(phenylmethyl)-, chloride, (9S)-
    • N-Benzylcinchoninium Chloride [Chiral Phase-Transfer Catalyst]
    • (S)-[(2R,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol,chloride
    • BCNC
    • 1-Benzylcinchoninium chloride
    • N-Benzylcinchoninium chloride
    • N-Benzylcinchonium chloride
    • AB1011152
    • (S)-[(2R)-1-Benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;chloride
    • (S)-[(1S,2R,4S,5R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol;chloride
    • N-Benzylcinchoninium chloride, purum, >=98.0% (AT)
    • (2R,4S,5R)-1-benzyl-2-((S)-hydroxy(quinolin-4-yl)methyl)-5-vinyl-1-azoniabicyclo[2.2.2]octane chloride
    • EINECS 273-915-8
    • B1689
    • (9S)-1-Benzyl-9-hydroxycinchonanium chloride
    • N-Benzylcinchoninium chloride, 98%
    • (S)-[(2R,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;chloride
    • MFCD00082423
    • 69221-14-3
    • SCHEMBL690387
    • FCHYSBWCOKEPNQ-YGNISETGSA-M
    • MDL: MFCD00082423
    • Inchi: 1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21-,25+,26-,28?;/m0./s1
    • InChI Key: FCHYSBWCOKEPNQ-YGNISETGSA-M
    • SMILES: [Cl-].O[C@@H](C1C=CN=C2C=CC=CC=12)[C@H]1C[C@@H]2CC[N+]1(CC1C=CC=CC=1)C[C@@H]2C=C

Computed Properties

  • Exact Mass: 420.19700
  • Monoisotopic Mass: 420.197
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 5
  • Complexity: 573
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 33.1

Experimental Properties

  • Color/Form: Beige crystals
  • Melting Point: 256 oC
  • Refractive Index: 168.5 ° (C=0.4, MeOH:H2O=1:5)
  • PSA: 33.12000
  • LogP: 1.84240
  • Solubility: Not determined

(S)-[(1S,2R,4S,5R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol;chloride Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Regulatory Condition Code:Class Q (sugars, alkaloids, antibiotics, hormones)
  • Hazardous Material Identification: Xi
  • Safety Term:S26-S36
  • Risk Phrases:R36/37/38
  • Storage Condition:Inert atmosphere,Room Temperature(BD143476)

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(S)-[(1S,2R,4S,5R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol;chloride Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:69221-14-3)(S)-[(1S,2R,4S,5R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol;chloride
Order Number:A836400
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:36
Price ($):255.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:69221-14-3)(S)-[(1S,2R,4S,5R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol;chloride
A836400
Purity:99%
Quantity:25g
Price ($):255.0
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