Pyrrolidin-2-ylmethyl-carbamic acid tert-butyl ester
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Grundinformationen
- CAS
149649-58-1- Standard-SMILES
CC(C)(C)OC(=O)NCC1CCCN1- InChIKey
DPJPFGHHTJLWQQ-UHFFFAOYSA-N- Summenformel
- C10H20N2O2
- Durchschnittliche Molmasse
- 200,28 g/mol
- Monoisotopische Masse
- 200,15247789
Namen und Bezeichner
- Bevorzugter Name
- Pyrrolidin-2-ylmethyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(pyrrolidin-2-ylmethyl)carbamate
- Englischer Name
- 2-Boc-aminomethylpyrrolidine
- Summenformel
- C10H20N2O2
- Molmasse
- 200.28
Namen und Synonyme
Pyrrolidin-2-ylmethyl-carbamic acid tert-butyl esterRefChem:871020801-503-5149649-58-12-Boc-aminomethyl-pyrrolidinetert-Butyl (pyrrolidin-2-ylmethyl)carbamate2-Boc-aminomethylpyrrolidine2-(Boc-aminomethyl)pyrrolidinetert-butyl N-(pyrrolidin-2-ylmethyl)carbamate2-N-Boc-AminomethylpyrrolidineMFCD06658352SCHEMBL145280
Weitere Namen anzeigen
2-(BOC-AMINOMETHYL)PYRROLIDINE-HCl2-tert-Butoxycarbonyl-aminomethylpyrrolidinetert-butyl 2-aMino-2-(pyrrolidin-2-yl)acetate(2-PYRROLIDINYLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTERtert-butyl pyrrolidin-2-ylMethylcarbaMate hydrochloride
Carbamic acid, N-(2-pyrrolidinylmethyl)-, 1,1-dimethylethyl esterAB25788tert-butyl pyrrolidin-2-ylmethylcarbamate2-(Boc-aminomethyl)pyrrolidine, AldrichCPRrac.-2-(n-tert-butoxycarbonylaminomethyl)pyrrolidine(S)-tert-butyl pyrrolidin-2-ylmethylcarbamateAMY43952-Butanone,
Datenbank-Bezeichner
- CAS
149649-58-1- PubChem CID
- 21834643
- DTXSID
DTXSID30618632- EC Number
- 801-503-5
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 50,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 199
Physikochemische Eigenschaften
- Siedepunkt
- 303.9 · 303.9±15.0 °C(Predicted)
- Dichte
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- Aggregatzustand
- solid
- pka
- 12.58 · 12.58±0.46(Predicted)
- InChI
- 1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)
- InChIKey
- DPJPFGHHTJLWQQ-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)NCC1CCCN1
- CAS Datenbank
- 149649 · 149649-58-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
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GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P305+P354+P338, P317, 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 Dam. 1 (50%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933998090
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
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