| CAS Number | 446263-95-2 |
| Catalog Number | AG00DLUI(AGN-PC-03ZCHK) |
| Chemical Name | 6-AMINO-3-PYRIDINEPROPANOIC ACID METHYL ESTER |
| IUPAC Name | methyl 3-(6-aminopyridin-3-yl)propanoate |
| InChI | InChI=1S/C9H12N2O2/c1-13-9(12)5-3-7-2-4-8(10)11-6-7/h2,4,6H,3,5H2,1H3,(H2,10,11) |
| InChI Key | BTFGRXXCHIJMRQ-UHFFFAOYSA-N |
| MDL Number | MFCD19690307 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | COC(CCC1=CN=C(N)C=C1)=O |
| Synonyms | 446263-95-2,
methyl 3-(6-aminopyridin-3-yl)propanoate,
6-amino-3-Pyridinepropanoic acid methyl ester,
SCHEMBL3629544,
BTFGRXXCHIJMRQ-UHFFFAOYSA-N,
MFCD19690307,
ZINC59861911,
3-Pyridinepropanoic acid, 6-amino-, methyl ester,
ACN-046744,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-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