| CAS Number | 1461602-59-4 |
| Catalog Number | AG001DR4(AGN-PC-0WCYDB) |
| Chemical Name | 4-Pyridinecarboxylic acid, 3-(methylamino)- |
| IUPAC Name | 3-(methylamino)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C7H8N2O2/c1-8-6-4-9-3-2-5(6)7(10)11/h2-4,8H,1H3,(H,10,11) |
| InChI Key | JHSWDRAGEBOUER-UHFFFAOYSA-N |
| MDL Number | MFCD24160213 |
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.1506 |
| SMILES | O=C(O)C1=CC=NC=C1NC |
| Synonyms | 3-(Methylamino)isonicotinic Acid,
1461602-59-4,
3-(methylamino)pyridine-4-carboxylic acid,
4-Pyridinecarboxylic acid, 3-(methylamino)-,
3-(Methylamino)isonicotinicAcid,
SCHEMBL15295159,
KS-00000D0D,
MFCD24160213,
ZINC84426683,
AKOS020331000,
CS-12107,
SY037594,
FT-0745993,
MFCD24160213 (97%),
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.153g/mol |
| Monoisotopic Mass | 152.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number