2,3-DIHYDRO-1H-INDOLE-6-CARBOXYLICACID메틸에스테르염산염

Methyl indoline-6-carboxylate

HCID 16244446

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 341988-36-1
표준 SMILES: COC(=O)c1ccc2c(c1)NCC2
InChIKey: IVFIWGSRKYSLLR-UHFFFAOYSA-N
분자식: C10H11NO2
평균 분자량: 177.2 g/mol
단동위원소 질량: 177.07897859

이름 및 식별자

우선 이름: Methyl indoline-6-carboxylate
IUPAC: methyl 2,3-dihydro-1H-indole-6-carboxylate
현지명: 2,3-DIHYDRO-1H-INDOLE-6-CARBOXYLICACID메틸에스테르염산염
영어명: Methyl Indoline-6-carboxylate
분자식: C10H11NO2
분자량: 177.2

이름 및 동의어

methyl indoline-6-carboxylatemethyl 2,3-dihydro-1H-indole-6-carboxylateDTXSID50585695RefChem:157902DTXCID50536460Methyl indoline-6-carboxylic acidMethyl 2,3-dihydro-1H-indole-6-carboxylic acid871-120-6341988-36-12,3-Dihydro-1H-indole-6-carboxylic acid methyl esterMFCD073716296-Methoxycarbonyl-2,3-dihydro-1H-indole

이름 더 보기

2,3-DIHYDRO-1H-INDOLE-6-CARBOXYLICACID메틸에스테르염산염indoleline-6-carboxylic acidmethyl estermethyl indoline-6-carboxylate - [M23157]Methyl2,3-dihydro-1H-indole-6-carboxylatatoMethyl indoline-6-carboxylate in stock Factory

2,3-dihydro-1H-indole-6-carboxylic acid methyl ester hydrochlorideMethylindoline-6-carboxylate1H-Indole-6-carboxylic acid, 2,3-dihydro-, methyl ester6-methoxycarbonylindolineSCHEMBL2898350SCHEMBL29906783IVFIWGSRKYSLLR-UHFFFAOYSA-N1H-INDOLE-6-CARBOXYLIC ACID,2,3-DIHYDRO-,METHYL ESTER

데이터베이스 식별자

CAS: 341988-36-1
PubChem CID: 16244446
DTXSID: DTXSID50585695
EC Number: 871-120-6

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 205

물리화학적 성질

끓는 점: 315.6 · 315.6±31.0 °C(Predicted)
밀도: 1.162 · 1.162±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.26 · 4.26±0.20(Predicted)
InChI: InChI=1S/C10H11NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-3,6,11H,4-5H2,1H3
InChIKey: IVFIWGSRKYSLLR-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(C(OC)=O)=C2)CC1

화학적 성질

White solid

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.