N-Acetyltryptamine

HCID 70547CAS 1016-47-3

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Grundinformationen

Standard-SMILES: CC(=O)NCCc1c[nH]c2ccccc12
InChIKey: NVUGEQAEQJTCIX-UHFFFAOYSA-N
Summenformel: C12H14N2O
Durchschnittliche Molmasse: 202,25 g/mol
Monoisotopische Masse: 202,11061307

Überblick

N-acetyltryptamine is a tryptamine compound having an acetyl substituent attached to the side-chain amino function. It is a member of acetamides and a member of indoles. It is functionally related to a tryptamine.

Namen und Bezeichner

Bevorzugter Name: N-Acetyltryptamine
IUPAC: N-[2-(1H-indol-3-yl)ethyl]acetamide
Englischer Name: N-ACETYLTRYPTAMINE
Summenformel: C12H14N2O
Molmasse: 202.25

Namen und Synonyme

N-Acetyltryptamine1016-47-3N-(2-(1H-indol-3-yl)ethyl)acetamideN-[2-(1H-Indol-3-yl)ethyl]acetamideCHEBI:55515DTXSID30144042RefChem:927046DTXCID0066533AcetotryptamideAcetamide, N-[2-(1H-indol-3-yl)ethyl]-3-(2-N-Acetylaminoethyl)indoleMFCD00209910

Weitere Namen anzeigen

N-(2-(1H-Indol-3-yl)N10-AcetyltryptamineAcetyltryptamine, N-TRYPTAMINE, N-ACETYL-N-Acetyltryptamine >N-Acetyltryptamine

Nb-acetyltryptamineN-Acetyl-d3-tryptamineLopac-A-73423-(2-Acetamidoethyl)indoleCHEMBL33171N-[2-(1H-Indol-3-yl)-ethyl]-acetamideMLS001250169ISUPSL100255

Datenbank-Bezeichner

CAS: 1016-47-3
PubChem CID: 70547
DTXSID: DTXSID30144042
ChEMBL: CHEMBL33171
ChEBI: CHEBI:55515
Nikkaji: J99.715C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 44,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 230

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

LogP1.41

Physikochemische Eigenschaften

Schmelzpunkt: 74 to · 74.0 to 78.0 °C
Siedepunkt: 200 °C/0.2mmHg · 200°C/0.2mmHg(lit.)
Dichte: 1.164 · 1.164±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: alcohol: soluble
Aggregatzustand: powder
pka: 16.48 · 16.48±0.46(Predicted)
Farbe: White to Light yellow to Light orange
CAS Datenbank: 1016 · 1016-47-3

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
hs_code: 2933.99.8290
safety_code: 22-24/25

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungN-acetyl Tryptamine is a structural analog of melatonin (5-methoxy-N-acetyltryptamine; ) that binds the melatonin MT2 receptor (Ki = 41 nM). It acts as a melatonin receptor antagonist in frog skin and chicken retina and as a partial agonist in rabbit retina. N-acetyl Tryptamine is also a reaction product of assays for serotonin N-acetyltransferase, the penultimate enzyme in the melatonin biosynthetic pathway.

VerwendenN-acetyl Tryptamine is a structural analog of melatonin (5-methoxy-N-acetyltryptamine; ) that binds the melatonin MT2 receptor (Ki = 41 nM). It acts as a melatonin receptor antagonist in frog skin and chicken retina and as a partial agonist in rabbit retina. N-acetyl Tryptamine is also a reaction product of assays for serotonin N-acetyltransferase, the penultimate enzyme in the melatonin biosynthetic pathway.