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Harmaline hydrochloride dihydrate

CAT: 0931-TN8724-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8724-01Size:10 mg
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CAS Number
6027-98-1
Bioactivity
Harmaline hydrochloride dihydrate is a natural product that can be used in related research in the field of life sciences. Its product number is TN8724.
Smiles
Cl.O.N1=C(C=2NC=3C=C(OC)C=CC3C2CC1)C
Molecular Formula
C13H14N2O.HCl.2 (H2O)
Molecular Weight
286.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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