3-(6-Amino-pyridin-3-yl)-acrylic acid ethyl ester - CAS 227963-57-7

Name: 3-(6-Amino-pyridin-3-yl)-acrylic acid ethyl ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017752
Product Name:	3-(6-Amino-pyridin-3-yl)-acrylic acid ethyl ester
CAS:	227963-57-7
Synonyms:	ethyl (E)-3-(6-aminopyridin-3-yl)prop-2-enoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl (E)-3-(6-aminopyridin-3-yl)prop-2-enoate
Description:	3-(6-Amino-pyridin-3-yl)-acrylic acid ethyl ester (CAS# 227963-57-7) is a useful research chemical.
Molecular Weight:	192.21
Molecular Formula:	C10H12N2O2
Canonical SMILES:	CCOC(=O)C=CC1=CN=C(C=C1)N
InChI:	InChI=1S/C10H12N2O2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3,(H2,11,12)/b6-4+
InChI Key:	GXLHWGSBMOMMOD-GQCTYLIASA-N
Boiling Point:	356.6 °C at 760 mmHg
Melting Point:	142.8-142.9 °C
Purity:	95 %
Density:	1.183 g/cm³
MDL:	MFCD08061350
LogP:	1.82130

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Publication Number	Title	Priority Date
US-2019060282-A1	Imidazolylamide derivative	20160226
WO-2017146128-A1	Imidazolylamide derivative	20160226
US-10898469-B2	Imidazolylamide derivative	20160226
US-2018244660-A1	Cyclopropylderivatives and their use as kinase inhibitors	20150817
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Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	192.08987763
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.08987763
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1