(2S)-2-(((tert-butoxy)carbonyl)amino)-3-methoxypropanoic acid

HCID 7016354

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Grundinformationen

CAS: 51293-47-1
Standard-SMILES: COC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: RFGMSGRWQUMJIR-LURJTMIESA-N
Summenformel: C9H17NO5
Durchschnittliche Molmasse: 219,23 g/mol
Monoisotopische Masse: 219,11067264

Namen und Bezeichner

Bevorzugter Name: (2S)-2-(((tert-butoxy)carbonyl)amino)-3-methoxypropanoic acid
IUPAC: (2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Englischer Name: Boc-Ser(Me)-OH
Summenformel: C9H17NO5
Molmasse: 219.24

Namen und Synonyme

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxypropanoic acid(2S)-2-(((tert-butoxy)carbonyl)amino)-3-methoxypropanoic acid(2S)-2-[[(tert-Butoxy)carbonyl]amino]-3-methoxypropanoic acidRefChem:397997809-876-651293-47-1BOC-SER(ME)-OHBoc-O-Methyl-L-Serine(S)-2-((tert-Butoxycarbonyl)amino)-3-methoxypropanoic acidN-Boc-O-methyl-L-serineMFCD00153314BOC-SER(ME)-OH DCHA

Weitere Namen anzeigen

BOC-L-Ser（Me）-OHBoc-O-Methyl-L-SeHRBSM/Boc-Ser(me)BOC-SERINE(ME)-OH DCHABOC-L-SERINE(METHYL ETHER)

(2S)-2-(tert-butoxycarbonylamino)-3-methoxy-propanoic acid(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic AcidN-(tert-butoxycarbonyl)-O-methyl-L-serine(S)-2-(tert-butoxycarbonylamino)-3-methoxypropanoic acidSerine, N-[(1,1-dimethylethoxy)carbonyl]-O-methyl-Boc-O-Methyl-L-SerN-Boc-O-methyl-serine(s)-boc-o-methylserine

Datenbank-Bezeichner

CAS: 51293-47-1
PubChem CID: 7016354
DTXSID: DTXSID20426824
UNII: 84FX8J7GCE
EC Number: 809-876-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 84,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 6
Schwere Atome: 15
Formalladung: 0
Komplexität: 233

Physikochemische Eigenschaften

Siedepunkt: 355.8 · 355.8±37.0 °C(Predicted)
Dichte: 1.148 · 1.148±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
Aggregatzustand: solid
pka: 3.52 · 3.52±0.10(Predicted)
Farbe: Yellow-brown
InChI: InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-14-4)7(11)12/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKey: RFGMSGRWQUMJIR-LURJTMIESA-N
SMILES: C(O)(=O)[C@H](COC)NC(OC(C)(C)C)=O
CAS Datenbank: 51293 · 51293-47-1(CAS DataBase Reference)

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 2 reports by companies from 2 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2924297099
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

VerwendenBOC-SER(ME)-OH, also known as Boc-Ser-OMe or N-tert-butyloxycarbonyl-L-serine methyl ester, is an amino acid derivative commonly used in peptide synthesis.