메틸1H-인돌-2-카르복실레이트

Methyl 1H-indole-2-carboxylate

HCID 70992CAS 1202-04-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)c1cc2ccccc2[nH]1
InChIKey
NQPIEWBAWBFGOB-UHFFFAOYSA-N
분자식
C10H9NO2
평균 분자량
175.18 g/mol
단동위원소 질량
175.06332853

이름 및 식별자

우선 이름
Methyl 1H-indole-2-carboxylate
IUPAC
methyl 1H-indole-2-carboxylate
현지명
메틸1H-인돌-2-카르복실레이트
영어명
Methyl indole-2-carboxylate
분자식
C10H9NO2
분자량
175.18

이름 및 동의어

Methyl 1H-indole-2-carboxylate1202-04-6EINECS 214-861-7DTXSID10152726NSC 78006RefChem:812816DTXCID2075217214-861-7Methyl Indole-2-carboxylateMethyl 2-indolecarboxylateIndole-2-carboxylic Acid Methyl Ester1H-Indole-2-carboxylic acid, methyl ester
이름 더 보기
메틸1H-인돌-2-카르복실레이트methyl indoline-2-carboxylateAKOS JY2083539BUTTPARK 99\04-612-(methoxycarbonyl)-indolETHYL-INDOLE-2-CABOXYLATEMETHYL-INDOLE-2-CABOXYLATEMethylindole-2-carboxylicacid
MFCD004607791H-INDOLE-2-CARBOXYLIC ACID METHYL ESTERNSC-78006NSC780062-Methoxycarbonylindole2-(Methoxycarbonyl)indoleMethylindole-2-carboxylateN9H9PEV5QF

데이터베이스 식별자

CAS
1202-04-6
PubChem CID
70992
DTXSID
DTXSID10152726
ChEMBL
CHEMBL4467578
UNII
N9H9PEV5QF
EC Number
214-861-7
Nikkaji
J47.057K

물성

구조 계산 물성

XLogP
2.5
극성 표면적
42.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
13

실험 및 물리화학적 성질

LogP2.78

물리화학적 성질

녹는점
151 °C · 151 °C
끓는 점
331.7 · 331.7±15.0 °C(Predicted)
밀도
0.47 · 0.47
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
14.97 · 14.97±0.30(Predicted)
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

ridadr
2811
HS 번호
29339900
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
22-26-36/37/39

화학 및 산업

응용 분야 · 1건

용도Methyl Indole-2-carboxylate has been shown to inhibit the production of β-amyloid, an important factor in the pathogenesis of Alzheimer's disease. Methyl indole-2-carboxylate has also been shown to inhibit ion exchange, melatonin synthesis and aziridine production. Methyl indole-2-carboxylate was found to have a very high affinity for aldehydes. It is also able to cross the blood-brain barrier into the brain and has been shown to be effective against pancreatic cancer cells in vitro.

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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

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