1-(Diphenylmethyl)azetidin-3-one

HCID 3735558CAS 40320-60-3

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey: AVUDXLOVIBJFQA-UHFFFAOYSA-N
Molecular formula: C16H15NO
Average molar mass: 237.3 g/mol
Monoisotopic mass: 237.1153641

Names & identifiers

Preferred name: 1-(Diphenylmethyl)azetidin-3-one
IUPAC: 1-benzhydrylazetidin-3-one
English name: 1-Benzhydrylazetidin-3-one
Molecular formula: C16H15NO
Molecular weight: 237.3

Names & synonyms

1-(diphenylmethyl)azetidin-3-oneRefChem:427743692-488-21-benzhydrylazetidin-3-one40320-60-31-(Diphenylmethyl)-3-azetidinone1-DIPHENYLMETHYL-3-AZETIDINONE1-benzhydryl-azetidin-3-oneMFCD009645391-(1,1-Diphenylmethyl)azetidin-3-one1-benzhydryl-3-azetidinone3-AZETIDINONE, 1-(DIPHENYLMETHYL)-

Show more names

1-benzhdrylazetidin-3-one3-BENZHYDRYL-CYCLOBUTANONE1-Diphenylmethyl-3-azetid...N-DiphenylMethylazetidin-3-on1-Benzhydrylazetidin-3-one 95%1-Benzhydryl-3-azetidinone >

N-Benzhydrylazetidin-3-oneSCHEMBL62801CS-W0027151-(1,1-diphenylmethyl)azetidine-3onePB24710PS-7627EN300-99179A6748

Database identifiers

CAS: 40320-60-3
PubChem CID: 3735558
DTXSID: DTXSID40395725
EC Number: 692-488-2
Nikkaji: J637.450F

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 263

Physicochemical properties

Melting point: 75 to · 75.0 to 79.0 °C
Boiling point: 350 · 350-355℃
Density: 1.182 · 1.182
Flash point: 156 ° · 156°(313°F)
refractive index: 1.626 · 1.626
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 3.1 · 3.10±0.20(Predicted)
color: White to Orange to Green
InChI: InChI=1S/C16H15NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKey: AVUDXLOVIBJFQA-UHFFFAOYSA-N
SMILES: N1(C(C2=CC=CC=C2)C2=CC=CC=C2)CC(=O)C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Safety Statements: 24 · 24/25
HazardClass: IRRITANT
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 29339900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313