Benzaldehyde azine

C₁₄H₁₂N₂CAS 28867-76-7208.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂N₂
Molar mass: 208.26 g/mol
Exact mass: 208.1000 Da
logP: 3.14Crippen estimate
Polar surface area: 24.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3
Double bonds: E, EE/Z, in SMILES order

Hazards

Warning

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

Aggregated from 42 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

28867-76-7

SMILES

C1=CC=C(C=C1)/C=N/N=C/C2=CC=CC=C2

InChIKey

CWLGEPSKQDNHIO-JOBJLJCHSA-N

InChI

InChI=1S/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H/b15-11+,16-12+

Weigh it out

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

Work with Benzaldehyde azine

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.

Benzalazine588-68-1Stereo not defined

Similar compounds

N-Benzylideneaniline538-51-257 % similar N-(Phenylmethylene)methanamine622-29-757 % similar Benzaldehyde oxime932-90-157 % similar (E)-Stilbene103-30-050 % similar Diphenylhydrazone588-64-750 % similar (Z)-Stilbene645-49-850 % similar 1,6-Diphenyl-1,3,5-hexatriene1720-32-745 % similar Trans,trans-1,4-diphenyl-1,3-butadiene538-81-845 % similar

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

Same formula

5,6-Dimethyl-1,10-phenanthroline3002-81-1 4,7-Dimethyl-1,10-phenanthroline3248-05-3 Anthracene-2,6-diamine46710-42-3 Neocuproine484-11-7 Dibazole621-72-7

Elsewhere

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