| CAS Number | 1071993-26-4 |
| Catalog Number | AG00909I |
| Chemical Name | 8-Azabicyclo[3.2.1]octane, 3-(2-methyl-1H-benzimidazol-1-yl)- |
| IUPAC Name | 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylbenzimidazole |
| InChI | InChI=1S/C15H19N3/c1-10-16-14-4-2-3-5-15(14)18(10)13-8-11-6-7-12(9-13)17-11/h2-5,11-13,17H,6-9H2,1H3 |
| InChI Key | BJGOIXDGNKKASK-UHFFFAOYSA-N |
| MDL Number | MFCD08064258 |
| Molecular Formula | C15H19N3 |
| Molecular Weight | 241.3315 |
| SMILES | Cc1n(c2c(n1)cccc2)C1CC2NC(C1)CC2 |
| Synonyms | 1-(8-AZABICYCLO[3.2.1]OCT-3-YL)-2-METHYL-1H-BENZIMIDAZOLE,
1071993-26-4,
1-(8-azabicyclo[3.2.1]oct-3-yl)-2-methylbenzimidazole,
AC1Q2P8P,
SCHEMBL988877,
CTK6C4248,
BJGOIXDGNKKASK-UHFFFAOYSA-N,
AKOS024286440,
MCULE-8554071145,
ST093583,
1-(8-Azabicyclo3.2.1uumloct-3-yl)-2-methyl-1H-benzimidazole,
1-(8-Aza-Bicyclo[3.2.1]Oct-3-Yl)-2-Methyl-1H-Benzoimidazole,
3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-aza-bicyclo[3.2.1]octane,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.338g/mol |
| Monoisotopic Mass | 241.158g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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UN Code
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\N
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Certificate of Analysis
Lot Number