(2S,5R)-1-[(tert-butoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acid
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Grundinformationen
- CAS
221352-49-4- Standard-SMILES
CC(C)(C)OC(=O)N1[C@@H](c2ccccc2)CC[C@H]1C(=O)O- InChIKey
ADTXMICUZGOWDF-OLZOCXBDSA-N- Summenformel
- C16H21NO4
- Durchschnittliche Molmasse
- 291,34 g/mol
- Monoisotopische Masse
- 291,14705815
Namen und Bezeichner
- Bevorzugter Name
- (2S,5R)-1-[(tert-butoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acid
- IUPAC
- (2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-2-carboxylic acid
- Englischer Name
- (2S,5R)-BOC-5-PHENYL-PYRROLIDINE-2-CARBOXYLIC ACID
- Summenformel
- C16H21NO4
- Molmasse
- 291.34
Namen und Synonyme
(2S,5R)-1-[(tert-butoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acid(2S,5R)-1-((tert-butoxy)carbonyl)-5-phenylpyrrolidine-2-carboxylic acidRefChem:399031971-008-8221352-49-4(2S,5R)-1-(tert-butoxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acidBoc-(2S,5R)-5-phenyl-pyrrolidine-2-carboxylic acidBoc-(2S,5R)-5-Phenylpyrrolidine-2-carboxylic acidMFCD01321008(2S,5R)-BOC-5-PHENYL-PYRROLIDINE-2-CARBOXYLIC ACID(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-2-carboxylic acid(2S,5R)-1-(tert-Butoxycarbonyl)-5-phenylpyrrolidine-2-carboxylicacid
Weitere Namen anzeigen
RARECHEM EM WB 0185Boc-(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid≥ 98% (HPLC)(2S,5R)-N-tert-Butoxycarbonyl-5-phenylpyrrolidine-2-carboxylic acid1,2-Pyrrolidinedicarboxylic acid, 5-phenyl-, 1-(1,1-dimethylethyl) ester, (2S,5R)-
N-Boc-5-(R)-phenyl-(S)-prolineSCHEMBL859599(2S,5R)-1-BOC-5-phenylpyrrolidine-2-carboxylic acidDTXSID50373170ADTXMICUZGOWDF-OLZOCXBDSA-Nracemic N-Boc-cis-5-phenylprolineBoc-5-(R)-phenyl-(2S)-proline(2S,5R)-1-tert-butoxycarbonyl-5-phenyl-pyrrolidine-2-carboxylic acid
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 396
Physikochemische Eigenschaften
- Siedepunkt
- 441.5 · 441.5±45.0 °C(Predicted)
- Dichte
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 3.9 · 3.90±0.40(Predicted)
- Aggregatzustand
- solid
- Farbe
- White
- InChI
- InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-12(9-10-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/m1/s1
- InChIKey
- ADTXMICUZGOWDF-OLZOCXBDSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)[C@@H](C2=CC=CC=C2)CC[C@H]1C(O)=O
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 1 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
- 29339900
- hazard_class
- IRRITANT
Chemie und Industrie
Anbieter42 Anbieter
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州格镭生物科技有限公司19903857099; 19937938981 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
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上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
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