Cas no 69257-04-1 (N-Benzylcinchonidinium chloride)

N-Benzylcinchonidinium chloride structure
69257-04-1 structure
Product Name:N-Benzylcinchonidinium chloride
CAS No:69257-04-1
MF:C26H29ClN2O
MW:420.974265813828
MDL:MFCD00082422
CID:58949
PubChem ID:24862091
Update Time:2025-04-18

N-Benzylcinchonidinium chloride Chemical and Physical Properties

Names and Identifiers

    • N-Benzylcinchonidinium chloride
    • (8a,9R)-1-Benzyl-9-hydroxycinchonanium chloride
    • N-Benzylcinchonidinium Chloride [Chiral Phase-Transfer Catalyst]
    • BCDC
    • (8S,9R)-(-)-N-Benzylcinchonidinium chloride
    • (R)-(1-Benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;chloride
    • AS-74361
    • A836413
    • N-Benzylcinchonidinium chloride, 99%
    • METHYL5-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE
    • SCHEMBL615726
    • AKOS027320546
    • (2S,4S,5R)-1-Benzyl-2-((R)-hydroxy(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium chloride
    • (R)-[(2S,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;chloride
    • (2S,4S,5R)-1-BENZYL-5-ETHENYL-2-[(R)-HYDROXY(QUINOLIN-4-YL)METHYL]-1-AZABICYCLO[2.2.2]OCTAN-1-IUM CHLORIDE
    • C26H29ClN2O
    • 69257-04-1
    • FCHYSBWCOKEPNQ-IOPLZPHGSA-M
    • MDL: MFCD00082422
    • 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-IOPLZPHGSA-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: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 33.1
  • Surface Charge: 1

Experimental Properties

  • Color/Form: Powder
  • Melting Point: 210?°C (dec.) (lit.)
  • Refractive Index: -184 ° (C=1, H2O)
  • PSA: 33.12000
  • LogP: 1.84240
  • Specific Rotation: -188 o (c=0.4% in H2O)
  • Optical Activity: [α]20/D ?180°, c =?1.3 in H2O
  • Solubility: Not determined

N-Benzylcinchonidinium chloride Security Information

  • Symbol: HS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:UN 2811
  • 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
  • Storage Condition:Inert atmosphere,2-8°C(BD143475)
  • Risk Phrases:R36/37/38
  • Safety Term:S26;S36

N-Benzylcinchonidinium chloride Customs Data

  • HS CODE:29392000

N-Benzylcinchonidinium chloride Pricemore >>

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