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N9-Methylharman

CAT: 0804-HY-N8642Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N8642Size:1 Each
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Description
N9-Methylharman is a Alkaloids product that can be isolated from the herbs of Peganum harmala L.[1].
CAS Number
16498-64-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/n9-methylharman.html
Smiles
CC1=NC=CC2=C1N(C)C3=C2C=CC=C3
Molecular Formula
C13H12N2
Molecular Weight
196.25
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

N9-Methylharman
CAS Number16498-64-9
PubChem CID10420214
IUPAC Name1,9-dimethylpyrido[3,4-b]indole
Molecular FormulaC13H12N2
Molecular Weight196.25
XLogP2.7
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity241
SMILES
CC1=NC=CC2=C1N(C3=CC=CC=C23)C
InChI
InChI=1S/C13H12N2/c1-9-13-11(7-8-14-9)10-5-3-4-6-12(10)15(13)2/h3-8H,1-2H3
InChIKey
LQSZHLJVECITAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N9-Methylharman
CAS: 16498-64-9
CID: 10420214
Formula: C13H12N2
MW: 196.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.25
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass196.100048391
Monoisotopic Mass196.100048391
Topological Polar Surface Area17.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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