5-Methylindole

CAT: 0926-FM32194-04Size: 1 KgDry Ice: NoHazardous: No

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CAT#:0926-FM32194-04Size:1 Kg

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CAS Number

614-96-0

Synonyms

5-Methyl-1H-indole

MDL Number

MFCD00005680

Smiles

CC1=CC2=C (C=C1) NC=C2

Molecular Formula

C9H9N

Molecular Weight

131.17 g/mol

Controlled

Chemical Information

5-Methylindole

structure given in first source

CAS Number	614-96-0
PubChem CID	11978
IUPAC Name	5-methyl-1H-indole
Molecular Formula	C9H9N
Molecular Weight	131.17
XLogP	2.7
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	122

SMILES

CC1=CC2=C(C=C1)NC=C2

InChI

InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3

InChIKey

YPKBCLZFIYBSHK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 614-96-0

CID: 11978

Formula: C9H9N

MW: 131.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	131.17
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	131.073499291
Monoisotopic Mass	131.073499291
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
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

Related Products

Catalog	Name
FH52342-01	5-Hydroxy-2-methylindole
FH13802	5-Hydroxy-3-methylindole
FF52320-01	5-Fluoro-3-methylindole
FC02110-01	5-Chloro-2-methylindole
B-8914-01	5-Bromo-2-methylindole
FA147246-01	5-Amino-2-methylindole
AQB34313	5-Bromo-6-methylindole
FM25225-01	5-Methoxy-2-methylindole
SHA18255-01	N-Methylindole-5-boronic acid
FM02013-01	2-Methylindole

Alternative Products

Catalog	Name
TYD-00517	5-Methylindole
Fr213025-01	5-Hydroxy-2-methylindole
436501-01	5-Fluoro-2-methylindole
sc-481605	5-Hydroxy-3-methylindole
234324-01	5-Methylindole 98+% (HPLC)
234261-01	5-Methoxy-2-methylindole
283052-01	5-Methylindole-2-carboxaldehyde
277791-01	5-Fluoro-3-methylindole
269939-01	5-Chloro-3-Methylindole
265902-01	5-Bromo-3-methylindole

5-Methylindole

Chemical Information

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