Cas no 5786-97-0 (Brucine nitrate)

Brucine nitrate (C23H26N2O4·HNO3) is a crystalline alkaloid derivative commonly used in analytical chemistry and biochemical research. It is particularly valued as a reagent for the detection and quantification of nitrates and other anions due to its selective precipitation properties. The compound exhibits high purity and stability, making it suitable for precise laboratory applications. Brucine nitrate is also employed in chiral resolution processes and as a reference standard in spectroscopic analysis. Its well-defined chemical properties ensure consistent performance in titrimetric methods. Proper handling is essential, as it is toxic and requires adherence to safety protocols.
Brucine nitrate structure
Brucine nitrate structure
Product Name:Brucine nitrate
CAS No:5786-97-0
MF:C23H27N3O7
MW:457.47638630867
CID:381991
PubChem ID:56841843
Update Time:2025-06-09

Brucine nitrate Chemical and Physical Properties

Names and Identifiers

    • Brucine nitrate
    • (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one,nitric acid
    • EINECS 227-317-9
    • 5786-97-0
    • Brucinnitrat
    • DTXSID30206573
    • NS00083022
    • Inchi: 1S/C23H26N2O4.HNO3/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;2-1(3)4/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H,2,3,4)/t13-,18-,19-,21-,22-,23+;/m0./s1
    • InChI Key: FAUPZRZWQZAAOB-SUJBTXFYSA-N
    • SMILES: O1CC=C2CN3CC[C@@]45C6C=C(C(=CC=6N6C(C[C@H]1[C@H]([C@H]2C[C@H]34)[C@H]65)=O)OC)OC.O[N+](=O)[O-]

Computed Properties

  • Exact Mass: 457.18500
  • Monoisotopic Mass: 457.18490021g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 2
  • Complexity: 810
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 117?2

Experimental Properties

  • PSA: 117.29000
  • LogP: 2.28810

Brucine nitrate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
City Chemical
B4396-25GM
Brucine Nitrate
5786-97-0 purified
25gm
$70.91 2023-09-19
City Chemical
B4396-100GM
Brucine Nitrate
5786-97-0 purified
100gm
$145.66 2023-09-19
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