| CAS Number | 1070879-22-9 |
| Catalog Number | AG007B6F(AGN-PC-05T2NL) |
| Chemical Name | Methyl 2-((benzyloxycarbonylamino)methyl)-1H-imidazole-5-carboxylate |
| IUPAC Name | methyl 2-(phenylmethoxycarbonylaminomethyl)-1H-imidazole-5-carboxylate |
| InChI | InChI=1S/C14H15N3O4/c1-20-13(18)11-7-15-12(17-11)8-16-14(19)21-9-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,15,17)(H,16,19) |
| InChI Key | IVNFONIYJVHJGE-UHFFFAOYSA-N |
| MDL Number | MFCD11052867 |
| Molecular Formula | C14H15N3O4 |
| Molecular Weight | 289.2866 |
| SMILES | COC(=O)c1cnc([nH]1)CNC(=O)OCc1ccccc1 |
| Synonyms | 1070879-22-9,
METHYL 2-((BENZYLOXYCARBONYLAMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXYLATE,
Methyl 2-({[(benzyloxy)carbonyl]amino}methyl)-1H-imidazole-5-carboxylate,
CTK4A4951,
DTXSID90653600,
ZX-AT022217,
MFCD11052867,
ZINC32099181,
OR30645,
RT-017434,
T6133,
J-001698,
Methyl 2-(aminomethyl)-1H-imidazole-5-carboxylate, 2-CBZ protected,
2-({[(Benzyloxy)carbonyl]amino}methyl)-5-(methoxycarbonyl)-1H-imidazole,
methyl 2-({[(benzyloxy)carbonyl]amino}methyl)-3H-imidazole-4-carboxylate,
methyl 2-(phenylmethoxycarbonylaminomethyl)-1H-imidazole-5-c,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.291g/mol |
| Monoisotopic Mass | 289.106g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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