3-Methylindoline

CAT: 1596-AR-I03624-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I03624-02Size:25 Units

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CAS Number

4375-15-9

Molecular Formula

C9H11N

Molecular Weight

133.19

API Name

Indole

Chemical Information

3-Methylindoline

CAS Number	4375-15-9
PubChem CID	524504
IUPAC Name	3-methyl-2,3-dihydro-1H-indole
Molecular Formula	C9H11N
Molecular Weight	133.19
XLogP	2.3
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	122

SMILES

CC1CNC2=CC=CC=C12

InChI

InChI=1S/C9H11N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7,10H,6H2,1H3

InChIKey

BFQARNDIMKOOQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4375-15-9

CID: 524504

Formula: C9H11N

MW: 133.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.19
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	133.089149355
Monoisotopic Mass	133.089149355
Topological Polar Surface Area	12 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-I01474-01	2-Methylindoline
AR-R01171-01	1-methylindoline-2,3-dione
AR-I01475-01	2-methylindoline-d3
AR-E01566-01	(R) -1-methylindoline-3,5,6-triol
AR-I01457-01	2-chloro-5- (2-methylindoline-1-carbonyl) benzenesulfonamide
AR-M03243-01	(E) -3- (6-methoxy-2-methylindolin-3-yl) -1- (pyridin-4-yl) prop-2-en-1-one
AR-N01286-01	3- (3,3-dimethylureido) phenyldimethylcarbamate
AR-G01656-01	3',3'-cGAMP
AR-G02821-01	3',3'-cGAMP
AR-D06594-01	3,3-Dimethyldecane

Catalog	Name
sc-347182	3-methylindoline
TN9766-01	2-Methylindoline
abx182247-01	5-Methylindoline
OR1025860-01	1-Methylindoline
OR913234-01	7-Methylindoline
MCA10816	4-Methylindoline
HY-W012674S-01	2-Methylindoline-d3
MXB92838	4-Methylindoline hydrochloride
DXC59495	5-Methylindoline hydrochloride
EFA83353-01	7-Chloro-6-methylindoline-2,3-dione