| CAS Number | 884504-85-2 |
| Catalog Number | AG008CJL(AGN-PC-0WB3A2) |
| Chemical Name | 1-(5-Methyl-1H-benzimidazol-2-YL)propan-1-amine |
| IUPAC Name | 1-(6-methyl-1H-benzimidazol-2-yl)propan-1-amine |
| InChI | InChI=1S/C11H15N3/c1-3-8(12)11-13-9-5-4-7(2)6-10(9)14-11/h4-6,8H,3,12H2,1-2H3,(H,13,14) |
| InChI Key | UAUIXCLRTQDOOJ-UHFFFAOYSA-N |
| MDL Number | MFCD09055212 |
| Molecular Formula | C11H15N3 |
| Molecular Weight | 189.2569 |
| SMILES | N1C2=CC(C)=CC=C2NC=1C(CC)N |
| Synonyms | 884504-85-2,
1-(5-METHYL-1H-BENZIMIDAZOL-2-YL)PROPAN-1-AMINE,
1-(5-Methyl-1H-benzo[d]imidazol-2-yl)propan-1-amine,
AC1Q2SJ5,
1H-Benzimidazole-2-methanamine, alpha-ethyl-6-methyl-,
SCHEMBL5111363,
CTK5F9931,
DTXSID30656079,
MFCD09055212,
AKOS022184963,
Y-1954,
1-(6-Methyl-1H-benzoimidazol-2-yl)-propylamine,
1-(5-Methyl-1H-benzimidazol-2-yl)-1-propanamine,
1-(6-Methyl-1H-benzimidazol-2-yl)propan-1-amine,
1-(6-methyl-1H-1,3-benzodiazol-2-yl)propan-1-amine,
1-(5-Methyl-1H-benzimidazol-2-yl)propan-1-amine, AldrichCPR,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.262g/mol |
| Monoisotopic Mass | 189.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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