3-(Methylamino)propanoic acid, N-BOC protected

HCID 2760952CAS 124072-61-3

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Grundinformationen

Standard-SMILES: CN(CCC(=O)O)C(=O)OC(C)(C)C
InChIKey: BBIFRGBXCKOUBW-UHFFFAOYSA-N
Summenformel: C9H17NO4
Durchschnittliche Molmasse: 203,24 g/mol
Monoisotopische Masse: 203,11575802

Namen und Bezeichner

Bevorzugter Name: 3-(Methylamino)propanoic acid, N-BOC protected
IUPAC: 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
Englischer Name: 3-(Methylamino)propanoic acid, N-BOC protected
Summenformel: C9H17NO4
Molmasse: 203.24

Namen und Synonyme

3-(methylamino)propanoic acid, n-boc protectedRefChem:495523696-567-2124072-61-33-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)PROPANOIC ACIDN-Boc-3-(Methylamino)propanoic acid3-[(tert-Butoxycarbonyl)(methyl)amino]propanoic acidMFCD034905083-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic Acid3-{[(Tert-Butoxy)Carbonyl](Methyl)Amino}Propanoic Acidn-(tert-butoxycarbonyl)-n-methyl-beta-alaninebeta-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-

Weitere Namen anzeigen

N-Boc-N-Methyl-b-alanineBoc-N-Me-β-AlaBoc-N-Me-β-Ala-OHBoc-N-Me-Beta-AlaN-Boc-N-methyl-β-alanineBoc-N-Methyl-beta-alanine3-(MethylaMino)propanoic aci3-[(Boc)(methyl)amino]propionic Acid3-(MethylaMino)propanoic acid, N-BOC

3-(tert-butoxycarbonyl(methyl)amino)propanoic acid3-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]PROPANOICACID3-[tert-butoxycarbonyl(methyl)amino]propanoic acidboc-beta-meala-oh3-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)PROPANOICACIDBoc-MessAla-OHBoc-N-methyl-b-alanineBoc-|A-N-Me-Ala-OH

Datenbank-Bezeichner

CAS: 124072-61-3
PubChem CID: 2760952
DTXSID: DTXSID70375434
EC Number: 696-567-2
Nikkaji: J735.713C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 66,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 14
Formalladung: 0
Komplexität: 219

Physikochemische Eigenschaften

Schmelzpunkt: 59 · 59-62
Siedepunkt: 307.4 · 307.4±21.0 °C(Predicted)
Dichte: 1.113 · 1.113±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 4.46 · 4.46±0.10(Predicted)
Farbe: Pale yellow

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)

Aggregated GHS information provided per 5 reports by companies from 4 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.