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3-Methyl Alpha-Carboline

CAT: 0572-TRC-M294449-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M294449-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76162-60-2
Hazard Statement
No Data Available
Smiles
Cc1cnc2[nH]c3ccccc3c2c1
Molecular Formula
C12 H10 N2
Molecular Weight
182.22
InChI
InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)13-7-8/h2-7H,1H3,(H,13,14)
Additionnal Information
IUPAC name: 3-methyl-9H-pyrido[2,3-b]indole
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Methyl-A-Carboline
CAS Number76162-60-2
PubChem CID12596583
IUPAC Name3-methyl-9H-pyrido[2,3-b]indole
Molecular FormulaC12H10N2
Molecular Weight182.22
XLogP3.2
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity216
SMILES
CC1=CC2=C(NC3=CC=CC=C32)N=C1
InChI
InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)13-7-8/h2-7H,1H3,(H,13,14)
InChIKey
KZCHBHJWVHWOCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-A-Carboline
CAS: 76162-60-2
CID: 12596583
Formula: C12H10N2
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass182.084398327
Monoisotopic Mass182.084398327
Topological Polar Surface Area28.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity216
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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