4-(Dimethylamino)cinnamic Acid - CAS 1552-96-1

Catalog:	BB011107
Product Name:	4-(Dimethylamino)cinnamic Acid
CAS:	1552-96-1
Synonyms:	(E)-3-[4-(dimethylamino)phenyl]-2-propenoic acid; (E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid

Technical Data

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Computed Properties

IUPAC Name:	(E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid
Description:	4-(Dimethylamino)cinnamic Acid (CAS# 1552-96-1) is a useful research chemical.
Molecular Weight:	191.23
Molecular Formula:	C11H13NO2
Canonical 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)/b8-5+
InChI Key:	CQNPVMCASGWEHM-VMPITWQZSA-N
Boiling Point:	360.3 °C at 760 mmHg
Density:	1.173 g/cm³
MDL:	MFCD00004397
LogP:	1.85040

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PMID	Publication Date	Title	Journal
22709348	20120718	Binding modes of carboxylate- and acetylacetonate-linked chromophores to homodisperse polyoxotitanate nanoclusters	Journal of the American Chemical Society
21167710	20110501	Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A)	Bioorganic & medicinal chemistry letters
21247795	20110301	Interaction of cinnamic acid derivatives with serum albumins: a fluorescence spectroscopic study	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
19380249	20090815	Effect of solvent hydrogen bonding on the photophysical properties of intramolecular charge transfer probe trans-ethyl p-(dimethylamino) cinamate and its derivative	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
18754053	20080901	Fluorimetric studies on the binding of 4-(dimethylamino)cinnamic acid with micelles and bovine serum albumin	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	191.094628657
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9