4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid

HCID 10656390CAS 94994-39-5

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Grundinformationen

Standard-SMILES: CN(CCCC(=O)O)C(=O)OC(C)(C)C
InChIKey: PXAKQDWAISFHCM-UHFFFAOYSA-N
Summenformel: C10H19NO4
Durchschnittliche Molmasse: 217,26 g/mol

Namen und Bezeichner

Bevorzugter Name: 4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
IUPAC: 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

Namen und Synonyme

4-{[(tert-butoxy)carbonyl](methyl)amino}butanoic acid4-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid4-([(tert-Butoxy)carbonyl](methyl)amino)butanoic acidRefChem:508693837-904-794994-39-54-((tert-Butoxycarbonyl)(methyl)amino)butanoic acidBoc-N-methyl-gamma-aminobutyric acidMFCD09831984Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]methylamino]-4-[(tert-butoxycarbonyl)(methyl)amino]butanoic acid4-(N-BOC-N-METHYL-AMINO)-BUTYRIC ACID

Weitere Namen anzeigen

4-(tert-butoxycarbonyl-methyl-amino)-butyric acid4-[tert-butoxycarbonyl(methyl)amino]butanoic acid4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic Acid4-((tert-butoxycarbonyl)(methyl)amino)butanoicacidBoc-N-Me-GABA4-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]BUTANOICACID4-[{[(1,1-Dimethylethyl)oxy]carbonyl}(methyl)amino)butanoic acid4-[{[(1,1-dimethylethyl)oxy]carbonyl}(methyl)amino]butanoic acid

Datenbank-Bezeichner

CAS: 94994-39-5
PubChem CID: 10656390
EC Number: 837-904-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 66,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 15
Formalladung: 0
Komplexität: 232

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.