| CAS Number | 1314391-59-7 |
| Catalog Number | AG00HSGT(AGN-PC-0WG4S7) |
| Chemical Name | 7-(TERT-BUTOXYCARBONYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE-3-CARBOXYLIC ACID |
| IUPAC Name | 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylic acid |
| InChI | InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)14-4-5-15-8(10(16)17)6-13-9(15)7-14/h6H,4-5,7H2,1-3H3,(H,16,17) |
| InChI Key | QYFDJATXKTZVOY-UHFFFAOYSA-N |
| MDL Number | MFCD23106110 |
| Molecular Formula | C12H17N3O4 |
| Molecular Weight | 267.2811 |
| SMILES | C(C)(C)(C)OC(=O)N1CC=2N(CC1)C(=CN2)C(=O)O |
| Synonyms | 7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylic acid,
1314391-59-7,
MFCD20231144,
ZINC91303726,
AM805367,
CS-0036510,
7-(t-Butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylic acid,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.285g/mol |
| Monoisotopic Mass | 267.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number