2,3-DIHYDRO-1H-인돌-2-카르복실산메틸에스테르

Methyl indoline-2-carboxylate

HCID 2794655

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59040-84-5
표준 SMILES: COC(=O)C1Cc2ccccc2N1
InChIKey: URORFKDEPJFPOV-UHFFFAOYSA-N
분자식: C10H11NO2
평균 분자량: 177.2 g/mol
단동위원소 질량: 177.07897859

이름 및 식별자

우선 이름: Methyl indoline-2-carboxylate
IUPAC: methyl 2,3-dihydro-1H-indole-2-carboxylate
현지명: 2,3-DIHYDRO-1H-인돌-2-카르복실산메틸에스테르
영어명: 2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
분자식: C10H11NO2
분자량: 177.2

이름 및 동의어

methyl indoline-2-carboxylate59040-84-596056-64-3DTXSID50383299RefChem:157901DTXCID10334323611-779-7methyl 2,3-dihydro-1H-indole-2-carboxylateMETHYL 2-INDOLINECARBOXYLATEMFCD05865114Indoline-2-carboxylic acid methyl ester2,3-dihydro-1h-indole-2-carboxylic acid methyl ester

이름 더 보기

2,3-DIHYDRO-1H-인돌-2-카르복실산메틸에스테르1H-Indole-2-carboxylicacid,2,3-dihydro-,methylester(9CI)

1H-Indole-2-carboxylic acid, 2,3-dihydro-, methyl ester2-methoxycarbonylindolinemethylindoline-2-carboxylateSCHEMBL644461SCHEMBL7462076CHEMBL4536823URORFKDEPJFPOV-UHFFFAOYSA-NJCA04084

데이터베이스 식별자

CAS: 59040-84-5、96056-64-3
PubChem CID: 2794655
DTXSID: DTXSID50383299
ChEMBL: CHEMBL4536823
EC Number: 116-952-6、611-779-7
Nikkaji: J3.196.237D

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: 292.8 · 292.8±19.0 °C(Predicted)
밀도: 1.164 · 1.164±0.06 g/cm3(Predicted)
저장 조건: Store at Room Tem.
산도 계수 (pKa): 3.11 · 3.11±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

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

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]