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1,2-Dimethyl-1H-indole

CAT: 0013-GTR19255110Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19255110Size:1 g
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Description
1,2-Dimethyl-1H-indole is an indole derivative widely used in biochemical experiments and drug synthesis research.
CAS Number
875-79-6
Purity
99.89% (May vary between batches)
Smiles
C=1C=CC2=C (C1) C=C (N2C) C
Molecular Formula
C10H11N
Molecular Weight
145.2
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

1,2-Dimethylindole
CAS Number875-79-6
PubChem CID13408
IUPAC Name1,2-dimethylindole
Molecular FormulaC10H11N
Molecular Weight145.20
XLogP2.8
Topological Polar Surface Area4.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
CC1=CC2=CC=CC=C2N1C
InChI
InChI=1S/C10H11N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7H,1-2H3
InChIKey
BJMUOUXGBFNLSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dimethylindole
CAS: 875-79-6
CID: 13408
Formula: C10H11N
MW: 145.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.20
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass145.089149355
Monoisotopic Mass145.089149355
Topological Polar Surface Area4.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
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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