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Harmaline Hydrochloride Dihydrate

CAT: 1410-M39465Size: 1 EachDry Ice: NoHazardous: No
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Description
Harmaline Hydrochloride Dihydrate
CAS Number
6027-98-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Harmaline Hydrochloride Dihydrate
CAS Number6027-98-1
PubChem CID2723643
IUPAC Name7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;dihydrate;hydrochloride
Molecular FormulaC13H19ClN2O3
Molecular Weight286.75
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity302
SMILES
CC1=NCCC2=C1NC3=C2C=CC(=C3)OC.O.O.Cl
InChI
InChI=1S/C13H14N2O.ClH.2H2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;;/h3-4,7,15H,5-6H2,1-2H3;1H;2*1H2
InChIKey
LCEKUHFBUFUSSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Harmaline Hydrochloride Dihydrate
CAS: 6027-98-1
CID: 2723643
Formula: C13H19ClN2O3
MW: 286.75
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.75
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass286.1084202
Monoisotopic Mass286.1084202
Topological Polar Surface Area39.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes