1-Methyl-1H-indole-5-D - CAS 1884330-89-5

Catalog:	BB014514
Product Name:	1-Methyl-1H-indole-5-D
CAS:	1884330-89-5
Synonyms:	1-methylindole; 1-methylindole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-deuterio-1-methylindole
Description:	1-Methyl-1H-indole-5-D (CAS# 1884330-89-5 ) is a useful research chemical.
Molecular Weight:	132.18
Molecular Formula:	C9H8ND
Canonical SMILES:	CN1C=CC2=CC=CC=C21
InChI:	InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChI Key:	BLRHMMGNCXNXJL-UHFFFAOYSA-N
LogP:	2.17830

Publication Number	Title	Priority Date
AU-2009222143-A1	Raf inhibitor compounds and methods of use thereof	20080229

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1884330-89-5]
1-Methyl-1H-indole-5-D
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[1477-50-5]
Indole-2-carboxylic acid
[2124-55-2]
Indole-4-carboxylic acid
[1670-81-1]
Indole-5-carboxylic acid

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GHS Hazard Statement:	H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.073499291
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.073499291
Rotatable Bond Count:	0
Topological Polar Surface Area:	4.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7