| CAS Number | 1187929-18-5 |
| Catalog Number | AG008RV4 |
| Chemical Name | [4-(1H-imidazol-4-yl)phenyl]methanamine dihydrochloride |
| IUPAC Name | [4-(1H-imidazol-5-yl)phenyl]methanamine;dihydrochloride |
| InChI | InChI=1S/C10H11N3.2ClH/c11-5-8-1-3-9(4-2-8)10-6-12-7-13-10;;/h1-4,6-7H,5,11H2,(H,12,13);2*1H |
| InChI Key | XYSOBYOYMYBYTG-UHFFFAOYSA-N |
| MDL Number | MFCD06796243 |
| Molecular Formula | C10H13Cl2N3 |
| Molecular Weight | 246.1363 |
| SMILES | Cl.Cl.NCC1=CC=C(C2N=CNC=2)C=C1 |
| Synonyms | 4-(1H-IMIDAZOL-4-YL)-BENZYLAMINE DIHYDROCHLORIDE,
1187929-18-5,
[4-(1H-imidazol-4-yl)phenyl]methanamine dihydrochloride,
(4-(1H-IMIDAZOL-4-YL)PHENYL)METHANAMINE DIHYDROCHLORIDE,
AB29364,
Z-6805,
Z2379802711,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.135g/mol |
| Monoisotopic Mass | 245.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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