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104830-07-1,MFCD07781149
Catalog No.:AA003I08
104830-07-1 | 3-(4-AMINO-PYRIDIN-3-YL)-ACRYLIC ACID ETHYL ESTER
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1g
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Technical Information
Catalog Number:
AA003I08
Chemical Name:
3-(4-AMINO-PYRIDIN-3-YL)-ACRYLIC ACID ETHYL ESTER
CAS Number:
104830-07-1
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD07781149
IUPAC Name:
ethyl (E)-3-(4-aminopyridin-3-yl)prop-2-enoate
InChI:
InChI=1S/C10H12N2O2/c1-2-14-10(13)4-3-8-7-12-6-5-9(8)11/h3-7H,2H2,1H3,(H2,11,12)/b4-3+
InChI Key:
LYGPATUMODNSAM-ONEGZZNKSA-N
SMILES:
CCOC(=O)/C=C/c1cnccc1N
Properties
Computed Properties
 
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
104830-07-1 
ETHYL 3-(4-AMINO-3-PYRIDYL)ACRYLATE 
QC-5465 
SC-33300 
RT-012575 
3-(4-aminopyridin-3-yl)acrylic acid ethyl ester 
Ethyl (2E)-3-(4-Aminopyridin-3-Yl)Prop-2-Enoate 
I14-58012 
3-(4-AMINO-PYRIDIN-3-YL)-ACRYLIC ACID ETHYL ESTER 
4-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzoicacid 
1034975-61-5 
104830-01-5 
(E)-ethyl 3-(4-aminopyridin-3-yl)acrylate 
3-(4-Amino-3-pyridyl)acrylic acid ethyl ester 
Ethyl 3-(4-aminopyridin-3-yl)acrylate 
MFCD07781149 
AC1Q31QH 
SCHEMBL17346861 
ZINC12359548 
AKOS006220908 
Literature
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