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Cinamolol

CAT: 0931-T69309-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69309-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39099-98-4
Target
Others
Related Pathways
Others
Bioactivity
Cinamolol is a beta blocker.
Smiles
O(CC(CNC(C)C)O)C1=C(/C=C/C(OC)=O)C=CC=C1
Molecular Formula
C16H23NO4
Molecular Weight
293.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl (2E)-3-(2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-2-propenoate
CAS Number39099-98-4
PubChem CID6443797
IUPAC Namemethyl (E)-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]prop-2-enoate
Molecular FormulaC16H23NO4
Molecular Weight293.36
XLogP2.3
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity330
SMILES
CC(C)NCC(COC1=CC=CC=C1/C=C/C(=O)OC)O
InChI
InChI=1S/C16H23NO4/c1-12(2)17-10-14(18)11-21-15-7-5-4-6-13(15)8-9-16(19)20-3/h4-9,12,14,17-18H,10-11H2,1-3H3/b9-8+
InChIKey
LWRSDAUWAOJRPA-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of Methyl (2E)-3-(2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-2-propenoate
CAS: 39099-98-4
CID: 6443797
Formula: C16H23NO4
MW: 293.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.36
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass293.16270821
Monoisotopic Mass293.16270821
Topological Polar Surface Area67.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5811859Cinamolol

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