3-아미노벤조산 에틸에스터

Ethyl 3-aminobenzoate

HCID 11400CAS 582-33-2
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기본 정보

표준 SMILES
CCOC(=O)c1cccc(N)c1
InChIKey
ZMCBYSBVJIMENC-UHFFFAOYSA-N
분자식
C9H11NO2
평균 분자량
165.19 g/mol
단동위원소 질량
165.07897859

개요

Tricaine is a benzoate ester that is the ethyl ester of 3-aminobenzoic acid. Used (in the form of its methanesulfonate salt) as an anaesthetic for fish. It has a role as a general anaesthetic. It is a benzoate ester and a substituted aniline. It is functionally related to a 3-aminobenzoic acid. It is a conjugate base of a tricaine(1+).

이름 및 식별자

우선 이름
Ethyl 3-aminobenzoate
IUPAC
ethyl 3-aminobenzoate
현지명
3-아미노벤조산 에틸에스터
영어명
Ethyl 3-aminobenzoate
분자식
C9H11NO2
분자량
165.19

이름 및 동의어

Ethyl 3-aminobenzoate582-33-23-Aminobenzoic acid ethyl ester3-(Ethoxycarbonyl)anilineBenzoic acid, 3-amino-, ethyl esterm-EthoxycarbonylanilineETHYL M-AMINOBENZOATEm-Aminobenzoic acid, ethyl esterAI3-02743NSC-3959302591PHL19DTXSID1044011
이름 더 보기
3-아미노벤조산에틸에스터3-아미노벤조산에틸에스터AKOS BB-7960ASISCHEM C75341ethyl-m-aminobenzpateBenzocaine impurity CBenzocaine EP Impurity C3-Aminobenzoic acid ethyl
CHEBI:81494NSC395933-Aminobenzoic acid, ethyl ester, methanesulfonateTricaine methane sulfonateRefChem:56159DTXCID9024011209-482-9Tricaine

데이터베이스 식별자

CAS
582-33-2
PubChem CID
11400
DTXSID
DTXSID1044011
ChEMBL
CHEMBL1702228
ChEBI
CHEBI:81494
UNII
02591PHL19
EC Number
209-482-9
Nikkaji
J47.824E

물성

구조 계산 물성

XLogP
1.8
극성 표면적
52.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Aminobenzoic Acids

Nitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials PropertiesOptical coefficient
Physical Description · 2건

Colorless liquid; [Sigma-Aldrich MSDS]

White solid; [Merck Index] Light grey powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
27 · 27-30°C
끓는 점
172 · 172-175 °C/13 mmHg (lit.)
밀도
1.107 g/mL · 1.107 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.560(lit.)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Inert atmosphere,Room temperature

화학적 성질

clear yellow to light brown liquid or low melting

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzoic acid, 3-amino-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary · 2건

A skin and strong eye irritant; [Sigma-Aldrich MSDS]

Intravenous LD50 (mouse) = 180 mg/kg; Causes general anesthesia in acute studies of frogs; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29224999
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site.

용도 및 제조

UsesUsed as an anesthetic for fish; [Merck Index]
General Manufacturing InformationBenzoic acid, 3-amino-, ethyl ester: ACTIVE

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

추가 설명

정의ChEBI: A benzoate ester that is the ethyl ester of 3-aminobenzoic acid. Used (in the form of its methanesulfonate salt) as an anaesthetic for fish.

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