Benzaldehyde azine

CAT: 0024-sc-278727Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-278727Size:25 g

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CAS Number

588-68-1

Chemical Information

Benzalazine

CAS Number	588-68-1
PubChem CID	92130
IUPAC Name	N-(benzylideneamino)-1-phenylmethanimine
Molecular Formula	C14H12N2
Molecular Weight	208.26
XLogP	3.3
Topological Polar Surface Area	24.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	207

SMILES

C1=CC=C(C=C1)C=NN=CC2=CC=CC=C2

InChI

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

InChIKey

CWLGEPSKQDNHIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 588-68-1

CID: 92130

Formula: C14H12N2

MW: 208.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.26
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	208.100048391
Monoisotopic Mass	208.100048391
Topological Polar Surface Area	24.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	207
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-280078	Salicylaldehyde azine
sc-228290	Hexafluoroacetone azine
sc-278670	Acetophenone azine
sc-216051	Vanillin azine
sc-233803	Acetone azine
sc-280078A	Salicylaldehyde azine
sc-277474	4-Methoxybenzaldehyde azine
sc-487437	Benzaldehyde Phenylhydrazone
sc-214581A	Benzaldehyde tosylhydrazone
sc-227315	Benzaldehyde-α-13C

Catalog	Name
226715-01	Syringaldazine (4-Hydroxy-3,5-Dimethoxy-Benzaldehyde Azine)
FF67478-01	Flavanone azine
RM-S010300-01	Salicylaldehyde Azine
PC1026367	Hexafluoroacetone azine
A04770	Acetophenone Azine
A163820	Acetone Azine
FV70644-01	Vanillin azine
OR1043811-01	Benzophenone Azine
RG-A260706-01	4-Chlorobenzaldehyde Azine
AR-M03351-01	3-Hydroxybenzaldehyde azine