1-Benzhydrylazetane-3-carbonitrile

C₁₇H₁₆N₂CAS 36476-86-5248.33 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₁₇H₁₆N₂
Molar mass: 248.33 g/mol
Exact mass: 248.1313 Da
logP: 3.23Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H331 Toxic if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

36476-86-5

SMILES

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChIKey

IXMOEAHDRKNAAG-UHFFFAOYSA-N

InChI

InChI=1S/C17H16N2/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,12-13H2

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

Names and synonyms

1 names

1-(Diphenylmethyl)azetidine-3-carbonitrile

Work with 1-Benzhydrylazetane-3-carbonitrile

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-Benzhydrylazetidin-3-ol18621-17-555 % similar 1-Benzhydrylazetan-3-ol40432-51-755 % similar 1-(Diphenylmethyl)-3-azetidinamine40432-52-855 % similar 1-(Diphenylmethyl)-3-azetidinemethanamine36476-88-752 % similar 1-Benzhydrylazetidine-3-carboxylic acid36476-87-650 % similar 1-Benzhydryl-N-methyl-3-azetidinamine69159-49-550 % similar 1-Benzhydrylazetidin-3-ol Hydrochloride90604-02-750 % similar Diphenylmethylpiperazine841-77-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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