6-(((Tert-butoxy)carbonyl)(ethyl)amino)pyridine-3-carboxylic acid

HCID 66769552CAS 1187368-46-2

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Grundinformationen

Standard-SMILES: CCN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)cn1
InChIKey: PJZIGPNYGIGSRC-UHFFFAOYSA-N
Summenformel: C13H18N2O4
Durchschnittliche Molmasse: 266,29 g/mol
Monoisotopische Masse: 266,12665706

Namen und Bezeichner

Bevorzugter Name: 6-(((Tert-butoxy)carbonyl)(ethyl)amino)pyridine-3-carboxylic acid
IUPAC: 6-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-3-carboxylic acid

Namen und Synonyme

1187368-46-26-{[(tert-butoxy)carbonyl](ethyl)amino}pyridine-3-carboxylic acid6-(((Tert-butoxy)carbonyl)(ethyl)amino)pyridine-3-carboxylic acidRefChem:538870858-579-86-(tert-Butoxycarbonyl-ethyl-amino)-nicotinic acid6-{[(tert-butoxy)carbonyl](ethyl)amino}pyridine-3-carboxylicacid6-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-3-carboxylic acidSCHEMBL691345PJZIGPNYGIGSRC-UHFFFAOYSA-NDB-113876EN300-6508936

Datenbank-Bezeichner

CAS: 1187368-46-2
PubChem CID: 66769552
EC Number: 858-579-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 79,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 5
Schwere Atome: 19
Formalladung: 0
Komplexität: 338

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.