1-acetylindolin-5-amine

CAT: 0024-sc-273189Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-273189Size:1 g

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CAS Number

4993-96-8

Chemical Information

1-(5-amino-2,3-dihydro-1H-indol-1-yl)ethan-1-one

CAS Number	4993-96-8
PubChem CID	292507
IUPAC Name	1-(5-amino-2,3-dihydroindol-1-yl)ethanone
Molecular Formula	C10H12N2O
Molecular Weight	176.21
XLogP	0.6
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	217

SMILES

CC(=O)N1CCC2=C1C=CC(=C2)N

InChI

InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5,11H2,1H3

InChIKey

WSDUFDGEYKOQRT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4993-96-8

CID: 292507

Formula: C10H12N2O

MW: 176.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.21
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	176.094963011
Monoisotopic Mass	176.094963011
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-273533	1,2-dihydroacenaphthylen-5-amine
sc-265098	1,5-Naphthyridin-4-amine
sc-222780A	1,10-Phenanthrolin-5-amine
sc-222780	1,10-Phenanthrolin-5-amine
sc-332019A	1- (1-naphthylmethyl) -1H-pyrazol-5-amine
sc-272812	1- (1-phenylethyl) -1H-pyrazol-5-amine
sc-332019	1- (1-naphthylmethyl) -1H-pyrazol-5-amine
sc-281707	1- (1-methylbutyl) -1H-pyrazol-5-amine
sc-281704	1- (1-ethylpropyl) -1H-pyrazol-5-amine
sc-273230	1-benzyl-1H-pyrazol-5-amine

Catalog	Name
OR1062196-01	(1-Acetylindolin-5-yl) boronic acid
EAA17588-01	5,5-Dimethoxypentan-1-amine
PC1004057-01	5,5,5-Trifluoropentan-1-amine
YFA75941	5-azidopentan-1-amine
279610-01	5-Hexyn-1-amine
436235-01	5-Chloronaphthalen-1-amine
AQ NN 0449-01	1-ethenyltetrazol-5-amine
AL MK 0068-01	5-methylhexan-1-amine
AL BW 0081-01	5-bromopentan-1-amine
YDA41086-01	5-Nitroisoquinolin-1-amine