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5-Methoxygramine Structure

5-Methoxygramine

Chemical Properties

Melting point 123-126 °C (lit.)
Boiling point 342.77°C (rough estimate)
Density  1.0565 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  Refrigerator (+4°C)
pka 16.70±0.30(Predicted)
BRN  170533
InChI 1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3
InChIKey GOERTRUXQHDLHC-UHFFFAOYSA-N
SMILES COc1ccc2[nH]cc(CN(C)C)c2c1
CAS DataBase Reference 16620-52-3(CAS DataBase Reference)

Safety Information

Hazard Codes  C,Xi
Risk Statements  34-22
Safety Statements  22-24/25
WGK Germany  3
RTECS  NL7700000
F  10
HS Code  29339900
Storage Class 11 - Combustible Solids
Toxicity mouse,LD50,intraperitoneal,130mg/kg (130mg/kg),Psychopharmacologia Vol. 16, Pg. 385, 1970.

MSDS

Usage And Synthesis

5-Methoxygramine Supplier