1-Acetyl-6-aminoindoline - CAS 62368-29-0

Catalog:	BB031561
Product Name:	1-Acetyl-6-aminoindoline
CAS:	62368-29-0
Synonyms:	1-(6-amino-2,3-dihydroindol-1-yl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(6-amino-2,3-dihydroindol-1-yl)ethanone
Description:	1-Acetyl-6-aminoindoline (CAS# 62368-29-0) is a reactant in the synthesis of anilines, phenols, and heterocycles with aryl iodides.
Molecular Weight:	176.22
Molecular Formula:	C10H12N2O
Canonical SMILES:	CC(=O)N1CCC2=C1C=C(C=C2)N
InChI:	InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,11H2,1H3
InChI Key:	LOZKZWIQDVEDCQ-UHFFFAOYSA-N
Boiling Point:	453.2 ℃ at 760 mmHg
Density:	1.231 g/cm³
MDL:	MFCD00056021
LogP:	1.82400

Publication Number	Title	Priority Date
CA-2841629-A1	Tricyclic inhibitors of kinases useful for the treatment of proliferative diseases	20110715
EP-2731953-A1	Tricyclic inhibitors of kinases useful for the treatment of proliferative diseases	20110715
JP-2014520855-A	Tricyclic kinase inhibitors useful for the treatment of proliferative diseases	20110715
MX-2014000621-A	TRICICLIC INHIBITORS OF USEFUL KINASES FOR THE TREATMENT OF PROLIFERATIVE DISEASES.	20110715
US-2013018045-A1	New Chemical Entities To Be Used For Wee1 Inhibition For The Treatment Of Cancer	20110715

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1232060-85-3]
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[1597-32-6]
2-Amino-6-fluoropyridine
[1239647-61-0]
2-Amino-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

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
[1375064-58-6]
Ethyl 3-Bromo-4-chloroindole-1-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
[4993-93-5]
Ethyl 4-nitro-1H-indole-2-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
[1477-50-5]
Indole-2-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.094963011
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.094963011
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6