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146-48-5

Name 17alpha-Hydroxy-yohimban-16alpha-carboxylic acid methyl ester
CAS 146-48-5
EINECS(EC#) 205-672-0
Molecular Formula C21H24N2O3
MDL Number MFCD00042748
Molecular Weight 352.43
MOL File 146-48-5.mol

Chemical Properties

Appearance Glistening, needle-like alkaloid, soluble in alcohol and ether, very slightly soluble in water.
Melting point  231-233 °C(lit.)
alpha  D20 +50.9 to +62.2° (ethanol); D20 +108° (pyridine); 20546 +129° (c = 0.5 in pyridine)
Boiling point  487.66°C (rough estimate)
density  1.1640 (rough estimate)
refractive index  1.6500 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  THF; DMSO; Chloroform;
form  Solid
pka 14.39±0.40(Predicted)
color  Beige
InChIKey BLGXFZZNTVWLAY-SCYLSFHTSA-N
SMILES [C@@H]1(O)[C@H](C(OC)=O)[C@]2(C[C@@]3(N(C[C@@]2(CC1)[H])CCC1C2=C(NC3=1)C=CC=C2)[H])[H]
LogP 2.730
CAS DataBase Reference 146-48-5(CAS DataBase Reference)
NIST Chemistry Reference Yohimbine(146-48-5)

Safety Data

Hazard Codes  T
Risk Statements 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R39:Danger of very serious irreversible effects.
Safety Statements 
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  1544
RTECS  ZG1000000
HazardClass  6.1(a)
PackingGroup  II

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