Ethyl 4-aminocinnamate

CAT: 0024-sc-257472Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-257472Size:5 g

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CAS Number

5048-82-8

Chemical Information

Ethyl 4-aminocinnamate

CAS Number	5048-82-8
PubChem CID	736317
IUPAC Name	ethyl (E)-3-(4-aminophenyl)prop-2-enoate
Molecular Formula	C11H13NO2
Molecular Weight	191.23
XLogP	2.3
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	205

SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)N

InChI

InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+

InChIKey

NRPMBSHHBFFYBF-VMPITWQZSA-N

Chemical Structure

2D Structure

CAS: 5048-82-8

CID: 736317

Formula: C11H13NO2

MW: 191.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.23
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	191.094628657
Monoisotopic Mass	191.094628657
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205
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
sc-285529	Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate
sc-391763	α-Ethyl-4,4'-dimethoxychalcone
sc-496538	4-Ethyl-4-piperidinamine
sc-323126	4-Ethyl-4'-fluorobenzhydrol
sc-269131	Ethyl 4,4-difluorocyclohexanecarboxylate
sc-323127	4-Ethyl-4'-methylbenzhydrol
sc-239914A	Ethyl 4,4,4-trifluoroacetoacetate
sc-235010	Ethyl 4,4,4-trichloroacetoacetate
sc-235012	Ethyl 4,4,4-trifluorocrotonate
sc-239914	Ethyl 4,4,4-trifluoroacetoacetate

Catalog	Name
FE37168-01	Ethyl 4-aminocinnamate
FE70575-01	Ethyl 3-aminocinnamate
OR962592	(E) -Ethyl 3-aminocinnamate
ZJB36539-01	Ethyl 4-ethyl-4-piperidinecarboxylate hydrochloride
DBA01810-01	Ethyl 1-ethyl-4-phenylpiperidine-4-carboxylate
OR1051532	Ethyl 1-ethyl-4-oxocyclohexanecarboxylate
OR1089848-01	Ethyl 3-ethyl-4-isopropoxybenzoate
OR1060780-01	Ethyl 4-ethyl-3-oxooctanoate
OR1076443-01	Ethyl 4-ethyl-3-oxohexanoate
OR1068962-01	Ethyl 2-ethyl-4-oxocyclopentanecarboxylate