N-아세틸티라민

N-Acetyltyramine

HCID 121051

기본 정보

CAS: 1202-66-0
표준 SMILES: CC(=O)NCCc1ccc(O)cc1
InChIKey: ATDWJOOPFDQZNK-UHFFFAOYSA-N
분자식: C10H13NO2
평균 분자량: 179.22 g/mol
단동위원소 질량: 179.09462866

개요

N-acetyltyramine is a member of the class of tyramines that is tyramine in which one of the hydrogens of the amino group is replaced by an acetyl group. It has a role as a quorum sensing inhibitor, an animal metabolite, a marine metabolite, an Aspergillus metabolite and a bacterial metabolite. It is a member of acetamides and a member of tyramines. It is functionally related to a tyramine.

이름 및 식별자

우선 이름: N-Acetyltyramine
IUPAC: N-[2-(4-hydroxyphenyl)ethyl]acetamide
현지명: N-아세틸티라민
영어명: N-Acetyltyramine
분자식: C10H13NO2
분자량: 179.22

이름 및 동의어

N-Acetyltyramine1202-66-0N-(4-Hydroxyphenethyl)acetamideN-[2-(4-Hydroxyphenyl)ethyl]acetamideN-Acetyl tyramineN-(p-Hydroxyphenethyl)acetamideN-(2-(4-Hydroxyphenyl)ethyl)acetamideBZB50E9QVYAcetamide, N-(2-(4-hydroxyphenyl)ethyl)-Acetamide, N-[2-(4-hydroxyphenyl)ethyl]-TYRAMINE, N-ACETYLCHEBI:125610

이름 더 보기

N-아세틸티라민Acetyltyramine, N-4-(2-Acetylaminoethyl)phenolN-(2-(4-HYDROXYPHENYL)ETHYL)-N-Acetyltyramine, 10 mM in DMSON-Acetyl-2-(4-hydroxyphenyl)ethaneamine

DTXSID60152731RefChem:927047DTXCID1075222Acetamide, N-(p-hydroxyphenethyl)Acetamide, N-(2-(4-hydroxyphenyl)ethyl)MFCD01670887GNF-PF-5230CHEMBL152117

데이터베이스 식별자

CAS: 1202-66-0
PubChem CID: 121051
DTXSID: DTXSID60152731
ChEMBL: CHEMBL152117
ChEBI: CHEBI:125610
UNII: BZB50E9QVY
EC Number: 802-476-2
Nikkaji: J365.633K

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 169 °C · 169 °C
끓는 점: 424.1 · 424.1±28.0 °C(Predicted)
밀도: 1.122 · 1.122±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
용해도: DMSO에 용해됨
산도 계수 (pKa): 10.01 · 10.01±0.15(Predicted)
물리적 상태: 고체
색상: Light brown to brown
주요 응용: 대사체학비타민, 기능성 식품 및 천연 제품
InChI: 1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12)
InChIKey: ATDWJOOPFDQZNK-UHFFFAOYSA-N
SMILES: N(CCc1ccc(cc1)O)C(=O)C
NIST: N-(p-hydroxyphenethyl) acetamide(1202-66-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Dam. 1 (100%)

안전 데이터

wgk: 3
독성: mouse,LD50,intravenous,> 500mg/kg (500mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)SKIN AND APPENDAGES (SKIN): HAIR: OTHERCARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION,Acta Pharmacologica et Toxicologica. Vol. 38, Pg. 474, 1976.
HS 번호: 2924297099
risk_code: 41
hazard_code: Xi
safety_code: 26-39
Hazard Classifications: Eye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도N-[2-(4-Hydroxyphenyl)ethyl]acetamide maintains anti-tumor properties and is derived from a marine bacterium named Streptoverticillium. Cytotoxin.

상·하류 제품 정보

상류 원료

공급사50 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

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