chempirical

1-(Diphenylmethyl)-3-[(methylsulfonyl)oxy]azetidine

C17H19NO3SCAS 33301-41-6317.40 g/mol

Open in Covalent MOL file
SOOON
Sulfonate esterTertiary amine

Properties

Molecular formula
C17H19NO3S
Molar mass
317.40 g/mol
Exact mass
317.1086 Da
Melting point
115–116 °C
logP
2.44Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
33301-41-6
SMILES
CS(=O)(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey
MSVZMUILYMLJCF-UHFFFAOYSA-N
InChI
InChI=1S/C17H19NO3S/c1-22(19,20)21-16-12-18(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 3-Azetidinol, 1-(diphenylmethyl)-, 3-methanesulfonate
  • 3-Azetidinol, 1-(diphenylmethyl)-, methanesulfonate (ester)
  • 1-(Diphenylmethyl)-3-(mesyloxy)azetidine
  • 3-(Mesyloxy)-N-(diphenylmethyl)azetidine
  • 1-Benzhydryl-3-mesyloxyazetidine
  • Methanesulfonic acid 1-benzhydrylazetidin-3-yl ester
  • 1-Benzhydryl-3-methanesulfonyloxyazetidine
  • 1-Benzhydryl-3-azetidinyl methanesulfonate
  • 3-[(Methylsulfonyl)oxy]-1-benzhydrylazetidine
  • 1-Benzhydryl-3-[(methylsulfonyl)oxy]azetidine
  • 1-(Diphenylmethyl)azetidin-3-yl methanesulfonate

Work with 1-(Diphenylmethyl)-3-[(methylsulfonyl)oxy]azetidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Benzhydryl-N-methyl-3-azetidinamine69159-49-545 % similar 1-Benzhydrylazetidin-3-ol18621-17-545 % similar 1-Benzhydrylazetan-3-ol40432-51-745 % similar 1-(Diphenylmethyl)-3-azetidinamine40432-52-845 % similar 1-((Benzyloxy)carbonyl)piperidin-4-yl methanesulfonate199103-19-043 % similar 1-Benzhydrylazetane-3-carbonitrile36476-86-543 % similar 1-(Diphenylmethyl)-3-azetidinemethanamine36476-88-743 % similar 1-Benzhydrylazetidine-3-carboxylic acid36476-87-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook