| CAS Number | 953751-31-0 |
| Catalog Number | AG019LOT(AGN-PC-0WOD7F) |
| Chemical Name | {3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl}methanamine |
| IUPAC Name | [3-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine |
| InChI | InChI=1S/C12H15N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,8-9,13H2,1H3 |
| InChI Key | DVUPGUAHJJFIPS-UHFFFAOYSA-N |
| MDL Number | MFCD09728395 |
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.2676 |
| SMILES | CC1N(CC2=CC(CN)=CC=C2)C=CN=1 |
| Synonyms | 953751-31-0,
{3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl}methanamine,
1-{3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl}methanamine,
(3-((2-Methyl-1H-imidazol-1-yl)methyl)phenyl)methanamine,
AC1Q2P4B,
CTK7E5401,
ZINC20282595,
AKOS000137424,
MCULE-2918371853,
NE43701,
VS-0302,
EN300-32011,
Benzenemethanamine, 3-[(2-methyl-1H-imidazol-1-yl)methyl],
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.273g/mol |
| Monoisotopic Mass | 201.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number