7-methylindoline - CAS 65673-86-1

Catalog:	BB032792
Product Name:	7-methylindoline
CAS:	65673-86-1
Synonyms:	7-methyl-2,3-dihydro-1H-indole; 7-methyl-2,3-dihydro-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	7-methyl-2,3-dihydro-1H-indole
Description:	7-methylindoline (CAS# 65673-86-1) is a useful research chemical.
Molecular Weight:	133.19
Molecular Formula:	C9H11N
Canonical SMILES:	CC1=CC=CC2=C1NCC2
InChI:	InChI=1S/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-4,10H,5-6H2,1H3
InChI Key:	WHPDSANSNOUOLZ-UHFFFAOYSA-N
Boiling Point:	233.278 °C at 760 mmHg
Density:	1.018 g/cm³
LogP:	2.10100

Publication Number	Title	Priority Date
WO-2021115286-A1	Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor	20191210
WO-2021018017-A1	Pyrimidine compound acting on egfr and erbb2	20190726
US-2020270538-A1	Motor gasoline with improved octane and method of use	20181207
US-11136516-B2	Motor gasoline with improved octane and method of use	20181207
WO-2020016749-A2	Chemical process for preparing phenylpiperidinyl indole derivatives	20180716

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501
Signal Word:	Danger

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.089149355
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	133.089149355
Rotatable Bond Count:	0
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3