| CAS Number | 1185565-15-4 |
| Catalog Number | AG00J1D2 |
| Chemical Name | [4-(2-methyl-1H-imidazol-1-yl)benzyl]amine hydrate |
| IUPAC Name | [4-(2-methylimidazol-1-yl)phenyl]methanamine;hydrate |
| InChI | InChI=1S/C11H13N3.H2O/c1-9-13-6-7-14(9)11-4-2-10(8-12)3-5-11;/h2-7H,8,12H2,1H3;1H2 |
| InChI Key | JZBPKDQBFQPLLQ-UHFFFAOYSA-N |
| MDL Number | MFCD11841267 |
| Molecular Formula | C11H15N3O |
| Molecular Weight | 205.2563 |
| SMILES | N1(C=CN=C1C)C1=CC=C(C=C1)CN.O |
| Synonyms | [4-(2-Methyl-1H-imidazol-1-yl)benzyl]amine hydrate,
1185565-15-4,
ZX-CM003963,
MFCD11841267,
4012457-25G,
1-[4-(2-Methyl-1H-imidazol-1-yl)phenyl]methanamine hydrate,
1-[4-(2-Methyl-1H-imidazol-1-yl)phenyl]methanamine hydrate, AldrichCPR,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.261g/mol |
| Monoisotopic Mass | 205.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number