1-Benzhydrylazetidin-3-ol Hydrochloride

C₁₆H₁₈ClNOCAS 90604-02-7275.78 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₆H₁₈ClNO
Molar mass: 275.78 g/mol
Exact mass: 275.1077 Da
logP: 2.87Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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

90604-02-7

SMILES

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl

InChIKey

LCHTWRWPHBRTNO-UHFFFAOYSA-N

InChI

InChI=1S/C16H17NO.ClH/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;1H

Weigh it out

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Names and synonyms

1 names

1-(Diphenylmethyl)-3-hydroxyazetidine hydrochloride

Work with 1-Benzhydrylazetidin-3-ol Hydrochloride

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-ol18621-17-5Free base 1-Benzhydrylazetan-3-ol40432-51-7Free base

Similar compounds

1-(Diphenylmethyl)-3-azetidinamine40432-52-853 % similar Cyclizine hydrochloride303-25-351 % similar 1-Benzhydrylazetane-3-carbonitrile36476-86-550 % similar 1-(Diphenylmethyl)-3-azetidinemethanamine36476-88-750 % similar 1-Benzhydrylazetidine-3-carboxylic acid36476-87-649 % similar 1-Benzhydryl-N-methyl-3-azetidinamine69159-49-549 % similar Hydroxydiethylphenamine13073-96-644 % similar N-Benzyl-3-hydroxyazetidine54881-13-944 % similar

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

Elsewhere

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