tert-butyl N-(azetidin-3-ylmethyl)carbamate
Grundinformationen
- CAS
91188-15-7- Standard-SMILES
CC(C)(C)OC(=O)NCC1CNC1- InChIKey
MOLUHRBHXXGWDP-UHFFFAOYSA-N- Summenformel
- C9H18N2O2
- Durchschnittliche Molmasse
- 186,25 g/mol
- Monoisotopische Masse
- 186,13682782
Namen und Bezeichner
- Bevorzugter Name
- tert-butyl N-(azetidin-3-ylmethyl)carbamate
- IUPAC
- tert-butyl N-(azetidin-3-ylmethyl)carbamate
- Englischer Name
- 3-(N-Boc-aminomethyl)azetidine
- Summenformel
- C9H18N2O2
- Molmasse
- 186.25
Namen und Synonyme
tert-butyl N-(azetidin-3-ylmethyl)carbamateRefChem:896350676-384-491188-15-73-(n-boc-aminomethyl)azetidine3-(boc-aminomethyl)azetidine3-Boc-aminomethylazetidinetert-butyl (azetidin-3-ylmethyl)carbamateMFCD01861760tert-butyl azetidin-3-ylmethylcarbamateAzetidin-3-ylmethyl-carbamic acid tert-butyl estertert-butyl N-[(azetidin-3-yl)methyl]carbamate
Weitere Namen anzeigen
3-(N-Boc-aMinoMethyl3-BOC-AMINOMETHYL-AZETIDINE3-(Boc-aminomethyl)azatidine3-(Boc-aminomethyl)azetid...3-N-Boc-aminomethyl-azstidine3-Boc-aminomet hylazetidineHCl3(BOC-AMINOMETHYL)AZETIDINE HCL SALT3-(N-BOC)Aminomethylazetidine - [B3009]REF DUPL: 3-(N-Boc-aminomethyl)azetidine
Carbamic acid, (3-azetidinylmethyl)-, 1,1-dimethylethyl estertert-butyl [(azetidin-3-yl)methyl]carbamate3-(n-boc)aminomethylazetidineSCHEMBL1034818SCHEMBL4116112DTXSID60571807MOLUHRBHXXGWDP-UHFFFAOYSA-NCS-B0427
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 50,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 183
Physikochemische Eigenschaften
- Siedepunkt
- 285.5 · 285.5±13.0 °C(Predicted)
- Dichte
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Aggregatzustand
- solid
- pka
- 12.62 · 12.62±0.46(Predicted)
- Farbe
- White
- Wasserlöslichkeit
- Slightly soluble in water.
- CAS Datenbank
- 91188 · 91188-15-7(CAS DataBase Reference)
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933998090
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
VerwendenIt is a useful building block in the synthesis of polypeptides and other nitrogen containing compounds with potential biological properties.
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