Grundinformationen
- Standard-SMILES
CC(C)(C)OC(=O)N1CC[C@@H](N)C1- InChIKey
CMIBWIAICVBURI-SSDOTTSWSA-N- Summenformel
- C9H18N2O2
- Durchschnittliche Molmasse
- 186,25 g/mol
- Monoisotopische Masse
- 186,13682782
Namen und Bezeichner
- Bevorzugter Name
- (R)-(+)-1-Boc-3-aminopyrrolidine
- IUPAC
- tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
- Englischer Name
- (R)-(+)-1-Boc-3-aminopyrrolidine
- Summenformel
- C9H18N2O2
- Molmasse
- 186.25
Namen und Synonyme
(R)-(+)-1-Boc-3-aminopyrrolidine(r)-tert-butyl 3-aminopyrrolidine-1-carboxylateRefChem:406961604-556-0147081-49-0(r)-1-boc-3-aminopyrrolidinetert-butyl (3R)-3-aminopyrrolidine-1-carboxylate(R)-3-Amino-1-N-BOC-pyrrolidine(3R)-3-amino-1-(tert-butoxycarbonyl)-pyrrolidineMFCD03419272(R)-(+)-N-Boc-3-aminopyrrolidine(r)-3-amino-pyrrolidine-1-carboxylic acid tert-butyl ester
Weitere Namen anzeigen
(R)-(+)-1-Boc-3-aMin(R)-3-Amino-1-Boc-pyrroli...1-Boc-3-(R )-aminopyrrolidine(R)-3-AMINO-1-BOC-PYRROLIDINE(R)-3-AMINO-N-BOC-PYRROLIDINER-1-N-BOC-3-AMINO PYRROLIDINE
tert-butyl (3R)-3-aminopyrrolidinecarboxylate(R)-tert-butyl3-aminopyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3R)-(R)-N-Boc-3-aminopyrrolidine(3r)-3-amino-1-(tert-butoxycarbonyl)pyrrolidinetert-butyl (R)-3-aminopyrrolidine-1-carboxylateR-N-boc-3-Amino PyrrolidineSCHEMBL241779
Datenbank-Bezeichner
- CAS
147081-49-0- PubChem CID
- 854070
- DTXSID
DTXSID00933026- EC Number
- 604-556-0
- Nikkaji
- J2.469.211F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 55,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 198
Physikochemische Eigenschaften
- Schmelzpunkt
- 243 · 243-244°C
- Siedepunkt
- 243 · 243-244°C
- Dichte
- 1.098 · 1.098
- Brechungsindex
- 1.472 · 1.4720
- Flammpunkt
- 196 °F · 196°F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- Aggregatzustand
- Liquid
- pka
- 9.55 · 9.55±0.20(Predicted)
- Farbe
- Clear pale yellow
- InChI
- InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
- InChIKey
- CMIBWIAICVBURI-SSDOTTSWSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC[C@@H](N)C1
- CAS Datenbank
- 147081 · 147081-49-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (82.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (82.7%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29339900
- risk_code
- 22-41-44
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- Ⅲ
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
Chemie und Industrie
Anwendungen
Verwenden(R)-(+)-1-Boc-3-aminopyrrolidine may be used to prepare:Descarboxamide analog and Na-methylated analogs of 4-N-(Nω-nitro-L-argininyl)-trans-4-amino-L-proline amide.Histamine 3 (H3) receptor antagonists containing pyrrolidin-3-yl-N-methylbenzamide moiety.
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