메틸2-아미노-4,5-디메톡시벤조에이트

Methyl 4,5-dimethoxyanthranilate

HCID 611144

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 26759-46-6
표준 SMILES: COC(=O)c1cc(OC)c(OC)cc1N
InChIKey: QQFHCCQSCQBKBG-UHFFFAOYSA-N
분자식: C10H13NO4
평균 분자량: 211.21 g/mol
단동위원소 질량: 211.0844579

이름 및 식별자

우선 이름: Methyl 4,5-dimethoxyanthranilate
IUPAC: methyl 2-amino-4,5-dimethoxybenzoate
현지명: 메틸2-아미노-4,5-디메톡시벤조에이트
영어명: Methyl 2-amino-4,5-dimethoxybenzoate
분자식: C10H13NO4
분자량: 211.21

이름 및 동의어

26759-46-6Methyl 4,5-dimethoxyanthranilateBenzoic acid, 2-amino-4,5-dimethoxy-, methyl esterEINECS 247-967-7DTXSID60181268RefChem:815694DTXCID70103759247-967-7Methyl 2-amino-4,5-dimethoxybenzoateMethyl 6-aminoveratrate2-Amino-4,5-dimethoxybenzoic Acid Methyl EsterMFCD00014904

이름 더 보기

메틸2-아미노-4,5-디메톡시벤조에이트Methyl 2-aMino-4TIMTEC-BB SBB0085545-diMethoxy benzoateLABOTEST-BB LT00454153Gefitinib interMediate IMethyl4,5-Dimethoxyanthranilate>2-amino-4,5-dimethoxy-benzate ester

6-Aminoveratric acid methyl ester4,5-dimethoxyanthranilic acid methylOprea1_336521SCHEMBL372600NCGC00020523-022-amino-4,5-dimethoxy-benzoic acid methyl estermethyl 2-amino-4,5-dimethoxy benzoatemethyl 2-amino-4,5-dimethoxy-benzoate

데이터베이스 식별자

CAS: 26759-46-6
PubChem CID: 611144
DTXSID: DTXSID60181268
ChEMBL: CHEMBL1506549
EC Number: 247-967-7
Nikkaji: J195.863A

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 70.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 221

물리화학적 성질

녹는점: 128 · 128-133 °C
끓는 점: 343.1 · 343.1±37.0 °C(Predicted)
밀도: 1.189 · 1.189±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 2.68 · 2.68±0.10(Predicted)
색상: White to Light yellow to Light orange
BRN: 2724754 · 2724754
주요 응용: 펩타이드 합성
InChI: InChI=1S/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3
InChIKey: QQFHCCQSCQBKBG-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC(OC)=C(OC)C=C1N

화학적 성질

Brown crystalline powder

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 (97.9%): 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 47 reports by companies from 7 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 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29225090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25-22
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

4-클로로-6,7-디메톡시퀴나졸린 N-(3-요오도페닐)-6,7-디메톡시퀴나졸린-4-아민 Benzoic acid, 2-isothiocyanato-4,5-diMethoxy-, Methyl ester 메틸2-[(2-클로로아세틸)아미노]-4,5-디메톡시벤조에이트

공급사100 곳

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]

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