| CAS Number | 1228670-24-3 |
| Catalog Number | AG00HH4P(AGN-PC-0WBQPN) |
| Chemical Name | (E)-Methyl 3-(2-amino-5-methylpyridin-3-yl)-acrylate |
| IUPAC Name | methyl (E)-3-(2-amino-5-methylpyridin-3-yl)prop-2-enoate |
| InChI | InChI=1S/C10H12N2O2/c1-7-5-8(10(11)12-6-7)3-4-9(13)14-2/h3-6H,1-2H3,(H2,11,12)/b4-3+ |
| InChI Key | CPHYEAKEGDBOMK-ONEGZZNKSA-N |
| MDL Number | MFCD16628214 |
| Molecular Formula | C12H10O |
| Molecular Weight | 170.2072 |
| SMILES | COC(=O)/C=C/c1cc(C)cnc1N |
| Synonyms | (E)-METHYL 3-(2-AMINO-5-METHYLPYRIDIN-3-YL)-ACRYLATE,
1228670-24-3,
(E)-Methyl 3-(2-amino-5-methylpyridin-3-yl)acrylate,
AC1Q41K5,
SCHEMBL15019618,
MFCD16628214,
ZINC66054209,
AKOS006332715,
TR-037914,
methyl (E)-3-(2-amino-5-methyl-3-pyridyl)prop-2-enoate,
methyl (2E)-3-(2-amino-5-methylpyridin-3-yl)prop-2-enoate,
(E)-Methyl 3-(2-amino-5-methylpyridin-3-yl)acrylate, AldrichCPR,
823218-50-4,
|
| Complexity | 228 |
| 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 | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number