N-아세틸트립타민

N-Acetyltryptamine

HCID 70547CAS 1016-47-3

기본 정보

표준 SMILES: CC(=O)NCCc1c[nH]c2ccccc12
InChIKey: NVUGEQAEQJTCIX-UHFFFAOYSA-N
분자식: C12H14N2O
평균 분자량: 202.25 g/mol
단동위원소 질량: 202.11061307

개요

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.

이름 및 식별자

우선 이름: N-Acetyltryptamine
IUPAC: N-[2-(1H-indol-3-yl)ethyl]acetamide
현지명: N-아세틸트립타민
영어명: N-ACETYLTRYPTAMINE
분자식: C12H14N2O
분자량: 202.25

이름 및 동의어

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

이름 더 보기

N-아세틸트립타민N-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 44.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 230

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

LogP1.41

물리화학적 성질

녹는점: 74 to · 74.0 to 78.0 °C
끓는 점: 200 °C/0.2mmHg · 200°C/0.2mmHg(lit.)
밀도: 1.164 · 1.164±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 알코올: 용해 가능
물리적 상태: 가루
산도 계수 (pKa): 16.48 · 16.48±0.46(Predicted)
색상: White to Light yellow to Light orange

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2933.99.8290
safety_code: 22-24/25

화학 및 산업

응용 분야 · 2건

개요N-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.

용도N-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.