Bicyclo[1.1.1]pentan-1-amine hydrochloride
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Grundinformationen
- CAS
22287-35-0- Standard-SMILES
Cl.NC12CC(C1)C2- InChIKey
LQKLVOWNBKJRJE-UHFFFAOYSA-N- Summenformel
- C5H10ClN
- Durchschnittliche Molmasse
- 119,59 g/mol
- Monoisotopische Masse
- 119,050177
Namen und Bezeichner
- Bevorzugter Name
- Bicyclo[1.1.1]pentan-1-amine hydrochloride
- IUPAC
- bicyclo[1.1.1]pentan-1-amine;hydrochloride
- Englischer Name
- bicyclo[1.1.1]pentan-3-amine,hydrochloride
- Summenformel
- C5H9N
- Molmasse
- 83.13166
Namen und Synonyme
bicyclo[1.1.1]pentan-1-amine hydrochloridebicyclo(1.1.1)pentan-1-amine hydrochlorideRefChem:568046695-081-822287-35-0Bicyclo[1.1.1]pentan-1-amine HCLbicyclo[1.1.1]pentan-1-amine;hydrochlorideMFCD192040651-bicyclo[1.1.1]pentylamine hydrochlorideDTXSID50712368bicyclo[1.1.1]pentan-3-amine,hydrochlorideBicyclo[1.1.1]pentan-1-amine--hydrogen chloride (1/1)
Weitere Namen anzeigen
bicyclo[1.1.1]pentan-1-aMineEOS-60771Propellamine HClbicyclo[1.1.1]pentan-3-amineBenzoicacid,4-(3-bromoacetyl)-1-aminobicyclopentaneHCLBICYCLO[1.1.1]PENTAN-1-AMINE HYDROCHORIDEBicyclo[1.1.1]pentan-1-amine HydrochloridBicyclo[1.1.1]pent-1-ylamine hydrochloride
Bicyclo[1.1.1]pentan-1-amine, hydrochlorideSCHEMBL316726SCHEMBL26615690LQKLVOWNBKJRJE-UHFFFAOYSA-NMFCD18782793ZB0272AKOS006337489AKOS026674354
Datenbank-Bezeichner
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 70
Physikochemische Eigenschaften
- Schmelzpunkt
- 242 · 242-244 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Wasserlöslichkeit
- Soluble in water
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- InChI
- InChI=1S/C5H9N.ClH/c6-5-1-4(2-5)3-5;/h4H,1-3,6H2;1H
- InChIKey
- LQKLVOWNBKJRJE-UHFFFAOYSA-N
- SMILES
- NC12CC(C1)C2.Cl
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 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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 6 reports by companies from 6 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 (16.7%)；Acute Tox. 4 (16.7%)；Skin Irrit. 2 (83.3%)；Eye Irrit. 2A (83.3%)；Acute Tox. 4 (16.7%)；STOT SE 3 (66.7%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29213000
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden1-Bicyclo[1.1.1]pentylamine hydrochloride can be used to synthesize bisbicyclo[1.1.1]pentyldiazene.It is used as a precursor in the synthesis of a potent quinolone antibacterial agent, U-87947E.It can also be used to prepare bicyclo[1.1.1]pentane-derived azides for click chemistry applications.
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