3,3-Dimethylindoline - CAS 1914-02-9

Catalog:	BB014808
Product Name:	3,3-Dimethylindoline
CAS:	1914-02-9
Synonyms:	3,3-dimethyl-1,2-dihydroindole; 3,3-dimethyl-1,2-dihydroindole

Technical Data

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Computed Properties

IUPAC Name:	3,3-dimethyl-1,2-dihydroindole
Description:	3,3-Dimethylindoline (CAS# 1914-02-9 ) is a useful research chemical.
Molecular Weight:	147.22
Molecular Formula:	C10H13N
Canonical SMILES:	CC1(CNC2=CC=CC=C21)C
InChI:	InChI=1S/C10H13N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3
InChI Key:	SRCCLYMWDRNUAF-UHFFFAOYSA-N
LogP:	2.52770

Publication Number	Title	Priority Date
WO-2021198188-A1	Quinazolinone derivatives and uses thereof for treating a cancer	20200330
WO-2021018194-A1	Heterocyclic compounds as bcr-abl inhibitors	20190729
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
WO-2020205538-A1	Cd73 inhibitors and therapeutic uses thereof	20190329
WO-2020192271-A1	Fluorescent compound, preparation method therefor, and use thereof	20190326

PMID	Publication Date	Title	Journal
22643958	20120707	Physicochemical study of spiropyran-terthiophene derivatives: photochemistry and thermodynamics	Physical chemistry chemical physics : PCCP
21417306	20110413	A multiswitchable poly(terthiophene) bearing a spiropyran functionality: understanding photo- and electrochemical control	Journal of the American Chemical Society

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.104799419
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.104799419
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8