2-(1-Benzhydrylazetidin-3-YL)ethanamine

HCID 22257634CAS 162698-43-3

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Basic information

Standard SMILES: NCCC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey: BSVIAHLFUOLJKY-UHFFFAOYSA-N
Molecular formula: C18H22N2
Average molar mass: 266.4 g/mol
Monoisotopic mass: 266.17829871

Names & identifiers

Preferred name: 2-(1-Benzhydrylazetidin-3-YL)ethanamine
IUPAC: 2-(1-benzhydrylazetidin-3-yl)ethanamine
English name: 2-(1-benzhydrylazetidin-3-yl)ethanamine
Molecular formula: C18H22N2
Molecular weight: 266.38

Names & synonyms

2-(1-BENZHYDRYLAZETIDIN-3-YL)ETHANAMINE162698-43-3SCHEMBL5969007DTXSID50623980BSVIAHLFUOLJKY-UHFFFAOYSA-N3-aminoethyl-1-benzhydryl azetidineAKOS015899538SB515463-Azetidineethanamine, 1-(diphenylmethyl)-2-(1-benzhydrylazetidin-3-yl)ethan-1-amineCS-00019172-[1-(Diphenylmethyl)azetidin-3-yl]ethan-1-amine

Show more names

2-[1-(diphenylmethyl)-3-azetidinyl]ethanamine

Database identifiers

CAS: 162698-43-3
PubChem CID: 22257634
DTXSID: DTXSID50623980

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 255

Physicochemical properties

Boiling point: 373.7 · 373.7±22.0 °C(Predicted)
Density: 1.085 · 1.085±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 10.31 · 10.31±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501