| CAS Number | 1195577-03-7 |
| Catalog Number | AG00HF15(AGN-PC-0WG46J) |
| Chemical Name | N-((1H-Imidazol-5-Yl)Methyl)-1-Phenylmethanamine Hydrochloride |
| IUPAC Name | N-(1H-imidazol-5-ylmethyl)-1-phenylmethanamine;hydrochloride |
| InChI | InChI=1S/C11H13N3.ClH/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-14-11;/h1-5,8-9,12H,6-7H2,(H,13,14);1H |
| InChI Key | GVPZJVCXAMUPKZ-UHFFFAOYSA-N |
| MDL Number | MFCD28992026 |
| Molecular Formula | C11H14ClN3 |
| Molecular Weight | 223.7020 |
| SMILES | Cl.C(NCc1ccccc1)c1cnc[nH]1 |
| Synonyms | 1195577-03-7,
N-((1H-Imidazol-5-yl)methyl)-1-phenylmethanamine hydrochloride,
N-((1H-Imidazol-5-yl)methyl)-1-phenylmethanamine HCl,
MFCD28992026,
CS-0037421,
N-(1H-imidazol-5-ylmethyl)-1-phenylmethanamine;hydrochloride,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.704g/mol |
| Monoisotopic Mass | 223.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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