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4- (Dimethylamino) cinnamic acid

CAT: 1410-M30917Size: 1 EachDry Ice: NoHazardous: No
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Description
4- (Dimethylamino) cinnamic acid (DMACA) could be as charge transfer (ICT) probe.
CAS Number
1552-96-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
191.23
Molecular Formula
C11H13NO2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

4-(Dimethylamino)cinnamic acid

structure in first source

CAS Number1552-96-1
PubChem CID73778
IUPAC Name3-[4-(dimethylamino)phenyl]prop-2-enoic acid
Molecular FormulaC11H13NO2
Molecular Weight191.23
XLogP1.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity215
SMILES
CN(C)C1=CC=C(C=C1)C=CC(=O)O
InChI
InChI=1S/C11H13NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-8H,1-2H3,(H,13,14)
InChIKey
CQNPVMCASGWEHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Dimethylamino)cinnamic acid
CAS: 1552-96-1
CID: 73778
Formula: C11H13NO2
MW: 191.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.23
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass191.094628657
Monoisotopic Mass191.094628657
Topological Polar Surface Area40.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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