| CAS Number | 1390621-30-3 |
| Catalog Number | AG009WT6(AGN-PC-0WADOE) |
| Chemical Name | Methyl 1-butyl-2-methyl-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | methyl 1-butyl-2-methylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C14H18N2O2/c1-4-5-8-16-10(2)15-12-9-11(14(17)18-3)6-7-13(12)16/h6-7,9H,4-5,8H2,1-3H3 |
| InChI Key | LDLPBTPRVZISRM-UHFFFAOYSA-N |
| MDL Number | MFCD22586700 |
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.3049 |
| SMILES | CCCCn1c(C)nc2c1ccc(c2)C(=O)OC |
| Synonyms | Methyl 1-butyl-2-methyl-1,3-benzodiazole-5-carboxylate,
1390621-30-3,
ZINC95496063,
V2886,
C14H18N2O2,
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| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.31g/mol |
| Monoisotopic Mass | 246.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number