2,3-Dimethylindole - CAS 91-55-4

Catalog:	BB040239
Product Name:	2,3-Dimethylindole
CAS:	91-55-4
Synonyms:	2,3-dimethyl-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	2,3-dimethyl-1H-indole
Description:	2,3-Dimethylindole (CAS# 91-55-4) is a useful research chemical.
Molecular Weight:	145.20
Molecular Formula:	C10H11N
Canonical SMILES:	CC1=C(NC2=CC=CC=C12)C
InChI:	InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3
InChI Key:	PYFVEIDRTLBMHG-UHFFFAOYSA-N
Boiling Point:	285 °C
Purity:	> 97.0 % (GC)
Density:	1.08 g/cm³
Appearance:	White to yellow powder
MDL:	MFCD00005617
LogP:	2.78470
Vapor Pressure:	0.00179 [mmHg]

Publication Number	Title	Priority Date
CN-112121760-A	Preparation method of indoor landscape model building material	20200821
CN-111747981-A	Transition metal compound and preparation method and application thereof	20200721
US-2021301175-A1	Polishing composition	20200330
EP-3828161-A2	Organic electroluminescence device and diamine compound for organic electroluminescence device	20191127
CN-110878099-A	Preparation method of pyrrole [1,2, Î± ] indole alkaloid derivative	20191125

PMID	Publication Date	Title	Journal
22390683	20120327	A variable light domain fluorogen activating protein homodimerizes to activate dimethylindole red	Biochemistry
19705360	20090701	Indole and its alkyl-substituted derivatives protect erythrocyte and DNA against radical-induced oxidation	Journal of biochemical and molecular toxicology
18761447	20080924	A rainbow of fluoromodules: a promiscuous scFv protein binds to and activates a diverse set of fluorogenic cyanine dyes	Journal of the American Chemical Society
18642850	20080815	Unbiased high-throughput screening of reactive metabolites on the linear ion trap mass spectrometer using polarity switch and mass tag triggered data-dependent acquisition	Analytical chemistry
17956077	20071115	Effects of liquid crystal environment on the spectroscopic and photophysical properties of well-known reacting systems 2,3-dimethylindole (DMI) and 9-cyanoanthracene (9CNA)	The journal of physical chemistry. A

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Related Functional Groups

Indoles

[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
[1670-87-7]
Indole-5-carboxamide
[1670-81-1]
Indole-5-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.089149355
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.089149355
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8