3-Amino-1-(diphenylmethyl)azetidine

HCID 5744546CAS 40432-52-8

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Grundinformationen

Standard-SMILES: NC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey: LYTNNHXGUOKXFI-UHFFFAOYSA-N
Summenformel: C16H18N2
Durchschnittliche Molmasse: 238,33 g/mol
Monoisotopische Masse: 238,14699858

Namen und Bezeichner

Bevorzugter Name: 3-Amino-1-(diphenylmethyl)azetidine
IUPAC: 1-benzhydrylazetidin-3-amine
Englischer Name: 3-Amino-1-diphenylmethylazetidine
Summenformel: C16H18N2
Molmasse: 238.33

Namen und Synonyme

3-AMINO-1-(DIPHENYLMETHYL)AZETIDINE1-(diphenylmethyl)-3-azetidinamineRefChem:496764640-915-81-benzhydrylazetidin-3-amine40432-52-83-amino-1-diphenylmethylazetidine1-(diphenylmethyl)azetidin-3-amine1-benzhydryl-3-aminoazetidineMFCD030933861-benzhydryl-azetidin-3-ylamine852655-92-6

Weitere Namen anzeigen

Compound FL0008BUTTPARK 92\50-953-amino-1-benzhylazetidine3-Amino-1-(diphenylmethyl...3-AMINO-1-BENZHYDRYLAZETIDINE3-Amino-1-Diphenylmethylazetid1-Benzhydrylazetidin-3-amine 97%

3-Azetidinamine, 1-(diphenylmethyl)-1-benzhydryl-3-azetanamineSCHEMBL724661-benzhydrylazetidin-3-ylamine3-amino-1-benzhydryl azetidineorb3169848SCHEMBL5695024DTXSID40960831

Datenbank-Bezeichner

CAS: 40432-52-8
PubChem CID: 5744546
DTXSID: DTXSID40960831
EC Number: 640-915-8
Nikkaji: J2.411.778B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 18
Formalladung: 0
Komplexität: 230

Physikochemische Eigenschaften

Schmelzpunkt: 63 °C · 63 °C
Siedepunkt: 339.2 · 339.2±42.0 °C(Predicted)
Dichte: 1.125 · 1.125±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 8.48 · 8.48±0.20(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
InChI: InChI=1S/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2
InChIKey: LYTNNHXGUOKXFI-UHFFFAOYSA-N
SMILES: N1(C(C2=CC=CC=C2)C2=CC=CC=C2)CC(N)C1
CAS Datenbank: 40432 · 40432-52-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): 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 3 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.