(S)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)acetic acid
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Grundinformationen
- CAS
204688-61-9- Standard-SMILES
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O)C1- InChIKey
SKEXQIJIXQSFRX-QMMMGPOBSA-N- Summenformel
- C11H19NO4
- Durchschnittliche Molmasse
- 229,27 g/mol
- Monoisotopische Masse
- 229,13140809
Namen und Bezeichner
- Bevorzugter Name
- (S)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)acetic acid
- IUPAC
- 2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
- Englischer Name
- (S)-1-N-Boc-3-pyrrolidineacetic acid
- Summenformel
- C11H19NO4
- Molmasse
- 229.27
Namen und Synonyme
(s)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)acetic acid(3S)-1-((1,1-Dimethylethoxy)carbonyl)-3-pyrrolidineacetic acid(3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acidRefChem:407862675-897-0204688-61-9(S)-(1-Boc-Pyrrolidin-3-yl)-acetic acid(S)-1-N-Boc-3-pyrrolidineacetic acids-1-boc-pyrrolidin-3-acetic acid3-PYRROLIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-, (3S)-(S)-N-Boc-3-pyrrolidineacetic acidMFCD05861546
Weitere Namen anzeigen
(S)-1-Boc-3-pyrrolidineacetic acid(S)-1-Boc-pyrrolidine-3-acetic Acid(3S)-1-Boc-3-pyrrolidineacetic acid(S)-(1-Boc-pyrrolidin-3-yl)acetic acid(S)-(1-Boc-Pyrrolidin-3-yl)-acetic acid, CAS 204688-61-9
2-[(3S)-1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl]acetic acid(s)-3-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid2-[(3S)-1-tert-butoxycarbonylpyrrolidin-3-yl]acetic acid(S)-1-Boc-3-CarboxymethylpyrrolidineSCHEMBL874037[(3s)-1-(tert-butoxycarbonyl)pyrrolidin-3-yl]acetic acidDTXSID30363615
Datenbank-Bezeichner
- CAS
204688-61-9- PubChem CID
- 1502098
- DTXSID
DTXSID30363615- EC Number
- 675-897-0
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 282
Physikochemische Eigenschaften
- Siedepunkt
- 357.4 · 357.4±15.0 °C(Predicted)
- Dichte
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.65 · 4.65±0.10(Predicted)
- InChI
- InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-5-4-8(7-12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
- InChIKey
- SKEXQIJIXQSFRX-QMMMGPOBSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC[C@@H](CC(O)=O)C1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
- ridadr
- UN2811
Chemie und Industrie
Anwendungen
Verwenden(S)-1-N-Boc-3-pyrrolidineacetic acid is a versatile building block that can be used to create a range of compounds.
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