| CAS Number | 1227581-39-6 |
| Catalog Number | AG000JCX(AGN-PC-0WBSIT) |
| Chemical Name | 4-Pyridinecarboxylic acid, 3-aMino-2-Methyl-, Methyl ester |
| IUPAC Name | methyl 3-amino-2-methylpyridine-4-carboxylate |
| InChI | InChI=1S/C8H10N2O2/c1-5-7(9)6(3-4-10-5)8(11)12-2/h3-4H,9H2,1-2H3 |
| InChI Key | WKDCUNZSNDZNHH-UHFFFAOYSA-N |
| MDL Number | MFCD16611579 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | O=C(OC)C1=CC=NC(C)=C1N |
| Synonyms | 1227581-39-6,
methyl 3-amino-2-methylpyridine-4-carboxylate,
Methyl 3-amino-2-methylisonicotinate,
4-Pyridinecarboxylic acid, 3-amino-2-methyl-, methyl ester,
SCHEMBL17545204,
MFCD16611579,
ZINC89157607,
AKOS024053412,
FCH1151670,
OR53145,
SB11055,
KS-0000048O,
AK173678,
AS-51089,
CS-0049131,
L-2124,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number