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Omidoline

CAT: 0931-T33796-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T33796-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21590-91-0
Target
Others
Related Pathways
Others
Bioactivity
Omidoline is a bioactive chemical.
Smiles
O=C1C=2C=CC=CC2C(NC3=CC=C(OCCN4CCCCC4)C=C3)N1C
Molecular Formula
C22H27N3O2
Molecular Weight
365.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Omidoline
CAS Number21590-91-0
PubChem CID65699
IUPAC Name2-methyl-3-[4-(2-piperidin-1-ylethoxy)anilino]-3H-isoindol-1-one
Molecular FormulaC22H27N3O2
Molecular Weight365.5
XLogP3.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity486
SMILES
CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)OCCN4CCCCC4
InChI
InChI=1S/C22H27N3O2/c1-24-21(19-7-3-4-8-20(19)22(24)26)23-17-9-11-18(12-10-17)27-16-15-25-13-5-2-6-14-25/h3-4,7-12,21,23H,2,5-6,13-16H2,1H3
InChIKey
OSRMGAHKSUHZOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Omidoline
CAS: 21590-91-0
CID: 65699
Formula: C22H27N3O2
MW: 365.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass365.21032711
Monoisotopic Mass365.21032711
Topological Polar Surface Area44.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5783336Omidoline

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