chempirical

1-Benzhydrylazetidin-3-ol

C16H17NOCAS 18621-17-5239.32 g/mol

Open in Covalent MOL file
HON
AlcoholTertiary amine

Properties

Molecular formula
C16H17NO
Molar mass
239.32 g/mol
Exact mass
239.1310 Da
Melting point
115 °C
logP
2.45Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
18621-17-5
SMILES
OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey
MMAJXKGUZYDTHV-UHFFFAOYSA-N
InChI
InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2

Weigh it out

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

Names and synonyms

12 names
  • 3-Azetidinol, 1-(diphenylmethyl)-
  • 1-(Diphenylmethyl)-3-azetidinol
  • 1-Benzhydryl-3-hydroxyazetidine
  • N-(Diphenylmethyl)azetidin-3-ol
  • 1-(Diphenylmethyl)-3-hydroxyazetidine
  • 1-Benzhydryl-3-azetanol
  • NSC 319045
  • 3-Hydroxy-1-(diphenylmethyl)azetidine
  • N-(Diphenylmethyl)-3-hydroxyazetidine
  • N-Benzhydryl-3-azetidinol
  • N-Benzhydryl-3-hydroxyazetidine
  • 1-(Diphenylmethyl)azetidin-3-ol

Work with 1-Benzhydrylazetidin-3-ol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Benzhydrylazetidin-3-ol Hydrochloride90604-02-7Salt 1-Benzhydrylazetan-3-ol40432-51-7

Similar compounds

1-(Diphenylmethyl)-3-azetidinamine40432-52-859 % similar 1-Benzhydrylazetane-3-carbonitrile36476-86-555 % similar 1-(Diphenylmethyl)-3-azetidinemethanamine36476-88-755 % similar 1-Benzhydryl-N-methyl-3-azetidinamine69159-49-553 % similar 1-Benzhydrylazetidine-3-carboxylic acid36476-87-653 % similar N-Benzyl-3-hydroxyazetidine54881-13-948 % similar Diphenylmethylpiperazine841-77-048 % similar 1-(Diphenylmethyl)azetidin-3-one40320-60-347 % similar

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

Same formula

4-[Ethyl(phenylmethyl)amino]benzaldehyde67676-47-5 Diphenamid957-51-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook