| CAS Number | 56475-87-7 |
| Catalog Number | AG00EXY7(AGN-PC-009QB0) |
| Chemical Name | Methyl 1,2,3,4-tetrahydropyridine-1-carboxylate |
| IUPAC Name | methyl 3,4-dihydro-2H-pyridine-1-carboxylate |
| InChI | InChI=1S/C7H11NO2/c1-10-7(9)8-5-3-2-4-6-8/h3,5H,2,4,6H2,1H3 |
| InChI Key | UEYXEWCMUHQOAS-UHFFFAOYSA-N |
| MDL Number | MFCD18835384 |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.1677 |
| SMILES | COC(N1C=CCCC1)=O |
| Synonyms | 56475-87-7,
methyl 1,2,3,4-tetrahydropyridine-1-carboxylate,
SCHEMBL16504608,
ZINC39087338,
1(2h)-pyridinecarboxylic acid,3,4-dihydro-,methyl ester,
3,4-Dihydropyridine-1(2H)-carboxylic acid methyl ester,
CID11469123,
Methyl 3,4-dihydro-2H-pyridine-1-carboxylate,
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, methyl ester (9CI),
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.17g/mol |
| Monoisotopic Mass | 141.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number