Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate - CAS 7498-85-3

Catalog:	BB035207
Product Name:	Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate
CAS:	7498-85-3
Synonyms:	(E)-2-cyano-3-(1-naphthalenyl)-2-propenoic acid ethyl ester; ethyl (E)-2-cyano-3-naphthalen-1-ylprop-2-enoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl (E)-2-cyano-3-naphthalen-1-ylprop-2-enoate
Description:	Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate (CAS# 7498-85-3 ) is a useful research chemical.
Molecular Weight:	251.28
Molecular Formula:	C16H13NO2
Canonical SMILES:	CCOC(=O)C(=CC1=CC=CC2=CC=CC=C21)C#N
InChI:	InChI=1S/C16H13NO2/c1-2-19-16(18)14(11-17)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-10H,2H2,1H3/b14-10+
InChI Key:	LKIMUVKEQPRZFV-GXDHUFHOSA-N
Boiling Point:	428.8 °C at 760 mmHg
Density:	1.192 g/cm³
LogP:	3.30988

Publication Number	Title	Priority Date
AU-2004236216-A1	3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor ligands	20030430
CA-2523235-A1	3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor ligands	20030430
EP-1620102-A2	3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor ligands	20030430
EP-1620102-B1	3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor ligands	20030430
JP-2006526630-A	2-Cyanopropanoic acid amide and ester derivatives and their use.	20030430

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

GHS Hazard Statement:	H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

Complexity:	404
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	251.094628657
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.094628657
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7