tert-Butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate

HCID 1515152

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Grundinformationen

CAS: 199174-29-3
Standard-SMILES: CC(C)(C)OC(=O)N1CC[C@H](CN)C1
InChIKey: OGCCBDIYOAFOGK-MRVPVSSYSA-N
Summenformel: C10H20N2O2
Durchschnittliche Molmasse: 200,28 g/mol
Monoisotopische Masse: 200,15247789

Namen und Bezeichner

Bevorzugter Name: tert-Butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate
IUPAC: tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate
Englischer Name: (R)-3-Aminomethyl-1-N-Boc-pyrrolidine
Summenformel: C10H20N2O2
Molmasse: 200.28

Namen und Synonyme

199174-29-3tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylateDTXSID20363902RefChem:383007DTXCID10314948635-406-2(R)-1-Boc-3-(aminomethyl)pyrrolidine(r)-n-boc-3-(aminomethyl)pyrrolidine(r)-tert-butyl 3-(aminomethyl)pyrrolidine-1-carboxylate(R)-3-(Aminomethyl)-1-N-Boc-pyrrolidineMFCD03844734(r)-1-n-boc-3-(aminomethyl)pyrrolidine

Weitere Namen anzeigen

REF DUPL: (R)-3-(Amin(R)-1-Boc-3-(aminomethyl)...(3R)-3-Aminomethyl-1-Boc-pyrrolidine(R)-3-(Aminomethyl)-N-Bocpyrrolidine(R)-3-(Aminomethyl)-1-Boc-pyrrolidine

(r)-3-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester(r)-3-aminomethyl-1-n-boc-pyrrolidine3(r)-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester(r)-1-boc-3-aminomethylpyrrolidinetert-butyl (R)-3-(aminomethyl)pyrrolidine-1-carboxylateSCHEMBL321665CS-D0668AKOS005259667

Datenbank-Bezeichner

CAS: 199174-29-3
PubChem CID: 1515152
DTXSID: DTXSID20363902
EC Number: 635-406-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 55,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 211

Physikochemische Eigenschaften

Siedepunkt: 280.3 · 280.3±13.0 °C(Predicted)
Dichte: 1.044 · 1.044±0.06 g/cm3(Predicted)
Brechungsindex: 1.478 · 1.4780
storage temp.: 2 · 2-8°C
pka: 10.12 · 10.12±0.29(Predicted)
Aggregatzustand: Liquid
Farbe: Colorless to yellow
BRN: 10537871 · 10537871
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7,11H2,1-3H3/t8-/m1/s1
InChIKey: OGCCBDIYOAFOGK-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC[C@H](CN)C1
CAS Datenbank: 199174 · 199174-29-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 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.