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AP 18

CAT: 0607-B7349-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B7349-25Size:25 mg
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Description
Reversible TRPA1 channel blocker
CAS Number
55224-94-7
Product Name Alternative
(2E,3Z)-4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime
Field of Research
Membrane Transporter Ion Channel TRP Channel
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
ClC1=CC=C(C=C1)/C=C(C)\C(C)=N\O
Molecular Formula
C11H12ClNO
Molecular Weight
209.67
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ap-18
CAS Number55224-94-7
PubChem CID9584673
IUPAC Name(NE)-N-[(E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
Molecular FormulaC11H12ClNO
Molecular Weight209.67
XLogP3.3
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity240
SMILES
C/C(=C\C1=CC=C(C=C1)Cl)/C(=N/O)/C
InChI
InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,14H,1-2H3/b8-7+,13-9+
InChIKey
MHTJEUOFLVQMCL-NJHPPEEMSA-N
Chemical Structure
2D Structure
2D structure of Ap-18
CAS: 55224-94-7
CID: 9584673
Formula: C11H12ClNO
MW: 209.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.67
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass209.0607417
Monoisotopic Mass209.0607417
Topological Polar Surface Area32.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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