에틸2-메틸-3-인돌아세테이트

Ethyl 2-methyl-3-indoleacetate

HCID 324307
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기본 정보

CAS
21909-49-9
표준 SMILES
CCOC(=O)Cc1c(C)[nH]c2ccccc12
InChIKey
SLEXJGHKKHQSDC-UHFFFAOYSA-N
분자식
C13H15NO2
평균 분자량
217.26 g/mol
단동위원소 질량
217.11027872

이름 및 식별자

우선 이름
Ethyl 2-methyl-3-indoleacetate
IUPAC
ethyl 2-(2-methyl-1H-indol-3-yl)acetate
현지명
에틸2-메틸-3-인돌아세테이트
영어명
Ethyl 2-methyl-3-indoleacetate
분자식
C13H15NO2
분자량
217.26

이름 및 동의어

Ethyl 2-methyl-3-indoleacetateDTXSID20314853RefChem:594464DTXCID60265976621-912-021909-49-9ethyl 2-(2-methyl-1H-indol-3-yl)acetateMFCD02093647Ethyl 2-Methyl-1H-indole-3-acetate1H-Indole-3-aceticacid, 2-methyl-, ethyl esterEthyl 2-methylindole-3-acetate1H-Indole-3-aceticacid,2-methyl-,ethyl ester
이름 더 보기
에틸2-메틸-3-인돌아세테이트Ethyl 2-methylindoleacetateEthyl 2-methyl-3-indoleacetate 98%2-(2-methyl-2-indolyl)acetic acid ethyl ester1H-Indole-3-acetic acid, 2-Methyl-, ethyl ester
E75819NSC 289352(2-MethylNSC289352ethyl (2-methyl-1H-indol-3-yl)acetateSCHEMBL1165573SCHEMBL27490601SCHEMBL31487317

데이터베이스 식별자

CAS
21909-49-9
PubChem CID
324307
DTXSID
DTXSID20314853
EC Number
621-912-0
Nikkaji
J888.201K

물성

구조 계산 물성

XLogP
2.6
극성 표면적
42.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
16

물리화학적 성질

녹는점
95 °C · 95 °C(Solv: ethyl ether (60-29-7))
끓는 점
195 · 195-196 °C/3.5 mmHg (lit.)
밀도
1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.571(lit.)
인화점
230 °F · >230 °F
산도 계수 (pKa)
17.27 · 17.27±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
10 - Combustible liquids

화학 및 산업

응용 분야

용도• ;Reactant for preparation of hydroxamate derivatives as HDAC inhibitor with anticancer activity1• ;Reactant for stereoselective preparation of AG-041R, as a Potent Gastrin/CCK-B Receptor Antagonist2

일반 설명Ethyl 2-methyl-3-indoleacetate, also known as ethyl 2-(2-methyl-1H-indol-3-yl)acetate, is a substituted 1H-indole.

상·하류 제품 정보

공급사16 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

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