2-{2-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-isoindol-1-yl}acetic acid

HCID 58777860

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Grundinformationen

CAS: 444583-13-5
Standard-SMILES: CC(C)(C)OC(=O)N1Cc2ccccc2C1CC(=O)O
InChIKey: XSSWFYSBSGAYOD-UHFFFAOYSA-N
Summenformel: C15H19NO4
Durchschnittliche Molmasse: 277,31 g/mol
Monoisotopische Masse: 277,13140809

Namen und Bezeichner

Bevorzugter Name: 2-{2-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-isoindol-1-yl}acetic acid
IUPAC: 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-1-yl]acetic acid
Englischer Name: 2-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)acetic acid
Summenformel: C15H19NO4
Molmasse: 277.32

Namen und Synonyme

2-{2-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-isoindol-1-yl}acetic acid2-(2-((tert-butoxy)carbonyl)-2,3-dihydro-1H-isoindol-1-yl)acetic acidRefChem:452357989-003-4444583-13-52-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)acetic acid2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-1-yl]acetic acidSCHEMBL48588602-Boc-isoindoline-1-acetic AcidDTXSID70730009XSSWFYSBSGAYOD-UHFFFAOYSA-NUSA58313

Weitere Namen anzeigen

1H-Isoindole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3-dihydro-

MFCD13195382AKOS022175989SB65461SY216548EN300-3033862-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)aceticacidZ1505705729[2-(tert-Butoxycarbonyl)-2,3-dihydro-1H-isoindol-1-yl]acetic acid

Datenbank-Bezeichner

CAS: 444583-13-5
PubChem CID: 58777860
DTXSID: DTXSID70730009
EC Number: 989-003-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 66,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 20
Formalladung: 0
Komplexität: 388

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.