인도린-2-카르복실산

Indoline-2-carboxylic acid

HCID 86074CAS 16851-56-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)C1Cc2ccccc2N1
InChIKey: QNRXNRGSOJZINA-UHFFFAOYSA-N
분자식: C9H9NO2
평균 분자량: 163.17 g/mol
단동위원소 질량: 163.06332853

개요

Indoline-2-carboxylic acid is a member of indoles and a monocarboxylic acid.

이름 및 식별자

우선 이름: Indoline-2-carboxylic acid
IUPAC: 2,3-dihydro-1H-indole-2-carboxylic acid
현지명: 인돌린-2-카르복실산
영어명: Indoline-2-carboxylic acid
분자식: C9H9NO2
분자량: 163.17

이름 및 동의어

Indoline-2-carboxylic acid78348-24-02,3-dihydro-1H-indole-2-carboxylic acid1H-Indole-2-carboxylic acid, 2,3-dihydro-2,3-Dihydroindole-2-carboxylic acidZHU9PQB6S7EINECS 278-899-6DTXSID80868549(+-)-indoline-2-carboxylic acidRefChem:790980DTXCID40816647(+-)-2,3-DIHYDROINDOLE-2-CARBOXYLIC ACID

이름 더 보기

인돌린-2-카르복실산L-INDOLINE-2-CARBOXYLIC ACID(S)-INDOLE-2-CARBOXYLIC ACID1H-INDOLINE-2-CARBOXYLIC ACIDDL-INDOLINE-2-CARBOXYLIC ACIDIndoline-2-carboxylicAcid,DL-(S)-1H-INDOLE-2-CARBOXYLIC ACID(RS)-INDOLINE-2-CARBOXYLIC ACIDL-(-)-INDOLINE-2-CARBOXYLIC ACIDS-(-)-INDOLIUM-2-CARBOXYLIC ACID(S)-(-)-INDOLIN-2-CARBOXYLIC ACID

278-899-6NOCAS_86854916851-56-2(+/-)-Indoline-2-carboxylic acidMFCD00010635Perindopril Impurity 30(2RS)-2-carboxyindoline(+)-indoline-2-carboxylic acid

데이터베이스 식별자

CAS: 16851-56-2、78348-24-0
PubChem CID: 86074
DTXSID: DTXSID80868549
ChEMBL: CHEMBL23081
ChEBI: CHEBI:167001
UNII: ZHU9PQB6S7
EC Number: 240-875-8、278-899-6
Nikkaji: J236.186H、J319.760C

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 193

물리화학적 성질

녹는점: 177 °C · 177 °C (dec.)(lit.)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]