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Benzalazine

CAT: 0572-TRC-B183745-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B183745-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
588-68-1
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
C(=N\N=C\c1ccccc1)/c2ccccc2
Molecular Formula
C14 H12 N2
Molecular Weight
208.26
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+
Additionnal Information
IUPAC name: (E)-N-[(E)-benzylideneamino]-1-phenylmethanimine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzalazine
CAS Number588-68-1
PubChem CID92130
IUPAC NameN-(benzylideneamino)-1-phenylmethanimine
Molecular FormulaC14H12N2
Molecular Weight208.26
XLogP3.3
Topological Polar Surface Area24.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity207
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
2D structure of Benzalazine
CAS: 588-68-1
CID: 92130
Formula: C14H12N2
MW: 208.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.26
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass208.100048391
Monoisotopic Mass208.100048391
Topological Polar Surface Area24.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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