Chemical Properties of Caulophylline (CAS 486-86-2)

Caulophylline

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InChI
InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3
InChI Key
CULUKMPMGVXCEI-UHFFFAOYSA-N
Formula
C12H16N2O
SMILES
CN1CC2CC(C1)c1cccc(=O)n1C2
Molecular Weight1
204.27
CAS
486-86-2
Other Names
  • 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R)-
  • Cytisine, 12-methyl-
  • Caulophyllin
  • N-Methylcytisine
  • 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R-cis)-
  • 12-Methylcytisine
  • (1R)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
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Physical Properties

Property Value Unit Source
log10WS -1.30 Crippen Calculated Property
logPoct/wat 0.897 Crippen Calculated Property
McVol 160.290 ml/mol McGowan Calculated Property
Inp [1950.00; 1982.00]   Show Hide
Inp 1955.00 NIST
Inp 1954.00 NIST
Inp Outlier 1982.00 NIST
Inp 1950.00 NIST
Inp 1952.00 NIST
Inp 1955.00 NIST
Inp 1953.00 NIST
Inp 1950.00 NIST
Inp 1955.00 NIST
Inp 1955.00 NIST
Inp 1955.00 NIST
Inp 1959.00 NIST
Inp 1950.00 NIST
Inp 1950.00 NIST
Inp 1950.00 NIST
Inp 1955.00 NIST
Inp 1955.00 NIST

Similar Compounds

Anagyrine. Camoensidine. 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-. N-acetylcytisine. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7«alpha»,7a«alpha»,14«alpha»)]-. Cytisine, N-formyl-. Cytisine. 11-Allylcytisine. Methyl-12-cytisine acetate. Tinctorine. Hydroxy-N-methylcytisine. Sophoramine. Epibaptifoline. Baptifoline. Argentamin.

Find more compounds similar to Caulophylline.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.