Indolin-2-carbonsure

Indoline-2-carboxylic acid

HCID 86074CAS 16851-56-2

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Grundinformationen

Standard-SMILES: O=C(O)C1Cc2ccccc2N1
InChIKey: QNRXNRGSOJZINA-UHFFFAOYSA-N
Summenformel: C9H9NO2
Durchschnittliche Molmasse: 163,17 g/mol
Monoisotopische Masse: 163,06332853

Überblick

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

Namen und Bezeichner

Bevorzugter Name: Indoline-2-carboxylic acid
IUPAC: 2,3-dihydro-1H-indole-2-carboxylic acid
Englischer Name: Indoline-2-carboxylic acid
Summenformel: C9H9NO2
Molmasse: 163.17

Namen und Synonyme

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

Weitere Namen anzeigen

L-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 193

Physikochemische Eigenschaften

Schmelzpunkt: 177 °C · 177 °C (dec.)(lit.)
CAS Datenbank: 16851 · 16851-56-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]