3-Methylindole

CAT: 0286-M20700-01Size: 5 gDry Ice: NoHazardous: No

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CAS Number

83-34-1

Synonyms

Skatol; Scatole

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00005627

Hazard Statement

H303 May be harmful if swallowed; H313 May be harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Skatole

Skatole is a methylindole carrying a methyl substituent at position 3. It is produced during the anoxic metabolism of L-tryptophan in the mammalian digestive tract. It has a role as a mammalian metabolite and a human metabolite.

CAS Number	83-34-1
PubChem CID	6736
IUPAC Name	3-methyl-1H-indole
Molecular Formula	C9H9N
Molecular Weight	131.17
XLogP	2.6
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=CNC2=CC=CC=C12

InChI

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

InChIKey

ZFRKQXVRDFCRJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 83-34-1

CID: 6736

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	2.6
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

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TRC-M313470-100G	3-Methylindole
S-2516	3-Methylindole - 1ML
FM33838-01	4-Methylindole-3-carboxaldehyde
281606-01	1-Methylindole-3-carboxaldehyde
sc-298826	3- (Cyanoacetyl) -1-methylindole
sc-481605	5-Hydroxy-3-methylindole
sc-280229	1-Methylindole-3-acetamide
OR94431-01	3-Methylindole-2-carboxaldehyde
OR960850-01	3-Formyl-4-methylindole
sc-268306	6-Methylindole-3-carboxaldehyde

3-Methylindole

Chemical Information

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