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Caulophylline Structure

Caulophylline

Chemical Properties

Melting point 137-139oC
alpha  30D -224° (c = 1.05 in water)
Boiling point 342.77°C (rough estimate)
Density  1.0565 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  -20°C Freezer, Under Inert Atmosphere
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  powder
pka 9.61±0.20(Predicted)
color  White to Off-White
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/t9-,10+/m0/s1
InChIKey CULUKMPMGVXCEI-VHSXEESVSA-N
SMILES N12C(=O)C=CC=C1[C@]1([H])C[C@]([H])(C2)CN(C)C1
NIST Chemistry Reference Caulophylline(486-86-2)

Safety Information

Hazard Codes  Xn
Risk Statements  22
WGK Germany  3
RTECS  HA4400000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Toxicity LD50 in mice (mg/kg): 21 i.v.; 51 i.p. (Barlow, McLeod)

Usage And Synthesis

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