| CAS Number | 876589-26-3 |
| Catalog Number | AG00IEPR(AGN-PC-0VFN2K) |
| Chemical Name | tert-Butyl 4-(2-(aminomethyl)-1h-benzo[d]imidazol-1-yl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[2-(aminomethyl)benzimidazol-1-yl]piperidine-1-carboxylate |
| InChI | InChI=1S/C18H26N4O2/c1-18(2,3)24-17(23)21-10-8-13(9-11-21)22-15-7-5-4-6-14(15)20-16(22)12-19/h4-7,13H,8-12,19H2,1-3H3 |
| InChI Key | OWKWWQODAREHPW-UHFFFAOYSA-N |
| MDL Number | MFCD21332876 |
| Molecular Formula | C18H26N4O2 |
| Molecular Weight | 330.4246 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)N1C(CN)=NC2=CC=CC=C12 |
| Synonyms | tert-Butyl 4-(2-(aminomethyl)-1H-benzo[d]imidazol-1-yl)piperidine-1-carboxylate,
876589-26-3,
SCHEMBL4934581,
OWKWWQODAREHPW-UHFFFAOYSA-N,
MFCD21332876,
ZINC95099739,
AS-40093,
t-butyl 4-[2-(aminomethyl)-1H-benzimidazol-1-yl]-1-piperidinecarboxylate,
tert-Butyl 4-(2-(aminomethyl)-1H-benzo[d]imidazol-1-yl)piperidine-1-carboxylate, AldrichCPR,
|
| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.432g/mol |
| Monoisotopic Mass | 330.206g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number