4-Dimethylaminocinnamaldehyde

CAT: 0926-FD10898-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FD10898-02Size:50 g

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CAS Number

6203-18-5

MDL Number

MFCD00007002

Smiles

CN (C) C1=CC=C (C=C1) /C=C/C=O

Molecular Formula

C11H13NO

Molecular Weight

175.23 g/mol

Controlled

Chemical Information

4-(Dimethylamino)cinnamaldehyde

4-dimethylaminocinnamaldehyde is a member of cinnamaldehydes.

CAS Number	6203-18-5
PubChem CID	5284506
IUPAC Name	(E)-3-[4-(dimethylamino)phenyl]prop-2-enal
Molecular Formula	C11H13NO
Molecular Weight	175.23
XLogP	2.3
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	179

SMILES

CN(C)C1=CC=C(C=C1)/C=C/C=O

InChI

InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3/b4-3+

InChIKey

RUKJCCIJLIMGEP-ONEGZZNKSA-N

Chemical Structure

2D Structure

CAS: 6203-18-5

CID: 5284506

Formula: C11H13NO

MW: 175.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.23
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	175.099714038
Monoisotopic Mass	175.099714038
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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AAA40687	4,4,4-Trifluorobutanal
FCA23456-01	4- (4-Methoxyphenyl) -4-oxobutanenitrile
FT47010-01	4,4',4''-Trimethoxytrityl chloride
FE60063-01	Ethyl 4,4,4-Trichloroacetoacetate
HCA98858-01	4- (4'-Bromophenyl) -4-hydroxypiperidine
IC20325-01	4- (4-Chlorophenyl) -4-hydroxypiperidine
BAA53282-01	4- (4-Methylbenzenesulfonate) -4-isoquinolinol

Catalog	Name
270943-01	4-Dimethylaminocinnamaldehyde
D35810-01	4-Dimethylaminocinnamaldehyde 98%
58451-01	P-Dimethylaminocinnamaldehyde (DMACA) extrapure, 98%
48690-01	P-Dimethylaminocinnamaldehyde (DMACA) Solution, 1% in HCl
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine