3-Aminoazetidine, 3-BOC protected
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Grundinformationen
- CAS
91188-13-5- Standard-SMILES
CC(C)(C)OC(=O)NC1CNC1- InChIKey
NEMXVXVJGXZDRR-UHFFFAOYSA-N- Summenformel
- C8H16N2O2
- Durchschnittliche Molmasse
- 172,22 g/mol
- Monoisotopische Masse
- 172,12117776
Namen und Bezeichner
- Bevorzugter Name
- 3-Aminoazetidine, 3-BOC protected
- IUPAC
- tert-butyl N-(azetidin-3-yl)carbamate
- Englischer Name
- 3-N-Boc-amino-azetidine
- Summenformel
- C8H16N2O2
- Molmasse
- 172.22
Namen und Synonyme
3-aminoazetidine, 3-boc protectedRefChem:497695676-108-291188-13-5tert-Butyl azetidin-3-ylcarbamate3-N-Boc-amino-azetidine3-(boc-amino)azetidineTert-butyl N-(azetidin-3-yl)carbamate3-Boc-aminoazetidine3-N-Boc-aminoazetidine3-(n-boc-amino)azetidineMFCD01861759
Weitere Namen anzeigen
Azetidin-3-yl-carbamic acid tert-butyl ester HCl3-Boc-Aaminoazetidine3-BOC-AMINOAZETIDINE 98%3-Boc-aminoazetidine HCl3-N-Boc-Amino-azetidine ,98%tert-butylazetidin-1-ylcarbamate
Azetidin-3-yl-carbamic acid tert-butyl estertert-butyl N-azetidin-3-ylcarbamate3-(tert-butoxycarbonylamino)azetidineCarbamic acid, 3-azetidinyl-, 1,1-dimethylethyl esterEN300-1183913-(BOC-AMINO)-AZETIDINE3-[(tert-Butoxycarbonyl)amino]azetidineSCHEMBL114920
Datenbank-Bezeichner
- CAS
91188-13-5- PubChem CID
- 1519405
- DTXSID
DTXSID50364023- EC Number
- 676-108-2
- Nikkaji
- J3.174.967K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 50,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 170
Physikochemische Eigenschaften
- Schmelzpunkt
- 63 · 63-72°C
- Siedepunkt
- 268 ℃ · 268℃
- Dichte
- 1.06 · 1.06
- Flammpunkt
- 116 ° · 116°(241°F)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 12.26 · 12.26±0.40(Predicted)
- Aggregatzustand
- powder
- Farbe
- White
- Wasserlöslichkeit
- Soluble in water. (5g/100ml)
- InChI
- InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H,10,11)
- InChIKey
- NEMXVXVJGXZDRR-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NC1CNC1
- CAS Datenbank
- 91188 · 91188-13-5(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 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): 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 (25%): 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 4 reports by companies from 3 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 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (25%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 2933998090
- risk_code
- 36/37/38-52
- hazard_code
- Xi
- safety_code
- 26-36/37/39
Chemie und Industrie
Anwendungen
VerwendenIt is an intermediate in organic syntheses.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
139
Notizen zur Verbindung
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