Melatonin

CAS 8041-44-9C13H16N2O2MW 232.28

Melatonin (CAS 8041-44-9) — formula C13H16N2O2, molecular weight 232.28; category organic chemicals.

Product Overview

CAS Number	8041-44-9
Molecular Formula	C13H16N2O2
Molecular Weight	232.28
Melting Point	117
LogP	1.6
Applications	Antioxidant
Category	Organic Chemicals

Applications

Documented applications: Antioxidant.

Technical Profile

What this product is

Melatonin is a carbon-based organic compound with CAS registry number 8041-44-9 and molecular formula C13H16N2O2 (molecular weight 232.28), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 8041-44-9

Its molecular formula C13H16N2O2 comprises 13 C, 16 H, 2 N, 2 O atoms.

Also known as: Melatonin · 松果素;褪黑素;美拉托宁;松果体素;褪黑激素;褪黑色素;3-N-乙酰基-5-甲氧基色胺;美乐托宁;麦乐通宁;松果腺素

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Melatonin?

The CAS registry number of Melatonin is 8041-44-9.

What is the molecular formula and molecular weight of Melatonin?

Molecular formula C13H16N2O2, molecular weight 232.28.

What other names is Melatonin known by?

It is also registered under: Melatonin, 松果素;褪黑素;美拉托宁;松果体素;褪黑激素;褪黑色素;3-N-乙酰基-5-甲氧基色胺;美乐托宁;麦乐通宁;松果腺素.

What are the documented applications of Melatonin?

Recorded applications: Antioxidant.

Which category does Melatonin belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Melatonin (CAS 8041-44-9), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号	8041-44-9
PubChem CID	896
分子式	C13H16N2O2
IUPAC 名称	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
UNII（FDA）	JL5DK93RCL

Computed descriptors

Molecular Weight	232.28
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	232.121177757
Monoisotopic Mass	232.121177757
Topological Polar Surface Area	54.1
Heavy Atom Count	17

Physicochemical values on record

Melting Point	117
Melting Point	116-118 °C
Melting Point	117 °C
LogP	1.6
LogP	log Kow = 1.18 at 28 °C
Collision Cross Section	155.9 Å² [M-H]-
Collision Cross Section	153.5 Å² [M+H]+
Collision Cross Section	158.6 Å² [M+K]+
Collision Cross Section	157.5 Å² [M+Na]+
Other Experimental Properties	log Kow = 1.2

Synonyms and trade names

Melatonin; 73-31-4; Melatonine; N-Acetyl-5-methoxytryptamine; N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide; Circadin; 5-Methoxy-N-acetyltryptamine; Melatol; N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide; Melovine; Melapure; Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-; N-[2-(5-methoxyindol-3-yl)ethyl]acetamide; DTXSID1022421; N-acetyl-5-methoxy-tryptamine; N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide

Regulatory listings held on file

法规与食品接触	Melatonin: Sleep Disorders CIR / INCI: Antioxidant
GHS 通报统计	96.5% (139 / 144)

GHS hazard classification

GHS 通报统计	96.5% (139 / 144)

What the public record says

松果素;褪黑素;美拉托宁;松果体素;褪黑激素;褪黑色素;3-N-乙酰基-5-甲氧基色胺;美乐托宁;麦乐通宁;松果腺素 · CAS 8041-44-9 · C13H16N2O2. UNII JL5DK93RCL. Melting Point: 117; Melting Point: 116-118 °C; Melting Point: 117 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

Melatonin

Product Overview

Applications

Technical Profile

What this product is

Identification

Frequently Asked Questions

PubChem Public Data

Registry identifiers across databases

Computed descriptors

Physicochemical values on record

Synonyms and trade names

Regulatory listings held on file

GHS hazard classification

What the public record says

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