| CAS Number | 88933-46-4 |
| Catalog Number | AG008A1C(AGN-PC-020DFH) |
| Chemical Name | 3-(trimethyl-1H-imidazol-1-yl)propan-1-amine |
| IUPAC Name | 3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine |
| InChI | InChI=1S/C9H17N3/c1-7-8(2)12(6-4-5-10)9(3)11-7/h4-6,10H2,1-3H3 |
| InChI Key | CZUXFFSUVDISFM-UHFFFAOYSA-N |
| MDL Number | MFCD21997136 |
| Molecular Formula | C9H17N3 |
| Molecular Weight | 167.2514 |
| SMILES | CC1=C(C)N(CCCN)C(C)=N1 |
| Synonyms | 88933-46-4,
1H-Imidazole-1-propanamine, 2,4,5-trimethyl-,
ACMC-20lf01,
3-(2,4,5-Trimethyl-1H-imidazol-1-yl)propan-1-amine,
SCHEMBL14416115,
CTK3A4925,
DTXSID40595824,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.256g/mol |
| Monoisotopic Mass | 167.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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