| CAS Number | 1250997-79-5 |
| Catalog Number | AG00HHXW(AGN-PC-0WG4R7) |
| Chemical Name | 4-Hydroxymethyl-1,4,6,7-Tetrahydro-Imidazo[4,5-C]Pyridine-5-Carboxylic Acid Tert-Butyl Ester |
| IUPAC Name | tert-butyl 4-(hydroxymethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate |
| InChI | InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-5-4-8-10(9(15)6-16)14-7-13-8/h7,9,16H,4-6H2,1-3H3,(H,13,14) |
| InChI Key | GXHUHLDJHHELTD-UHFFFAOYSA-N |
| MDL Number | MFCD17017154 |
| Molecular Formula | C12H19N3O3 |
| Molecular Weight | 253.2976 |
| SMILES | CC(C)(C)OC(=O)N1CCc2nc[nH]c2C1CO |
| Synonyms | 1250997-79-5,
4-Hydroxymethyl-1,4,6,7-Tetrahydro-Imidazo[4,5-C]Pyridine-5-Carboxylic Acid Tert-Butyl Ester,
tert-Butyl 4-(hydroxymethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridine-5(4H)-carboxylate,
CS-0038207,
tert-Butyl 4-(hydroxymethyl)-6,7-dihydro-3H-imidazo[4,5-c]pyridine-5(4H)-carboxylate,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.302g/mol |
| Monoisotopic Mass | 253.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number