| CAS Number | 1187930-50-2 |
| Catalog Number | AG008XA1 |
| Chemical Name | [2-(4-phenyl-2-pyrimidinyl)ethyl]amine dihydrochloride |
| IUPAC Name | 2-(4-phenylpyrimidin-2-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C12H13N3.2ClH/c13-8-6-12-14-9-7-11(15-12)10-4-2-1-3-5-10;;/h1-5,7,9H,6,8,13H2;2*1H |
| InChI Key | KIJJUWWEGPOYEI-UHFFFAOYSA-N |
| MDL Number | MFCD06739043 |
| Molecular Formula | C12H15Cl2N3 |
| Molecular Weight | 272.1736 |
| SMILES | N1=C(C=CN=C1CCN)C1C=CC=CC=1.Cl.Cl |
| Synonyms | 1187930-50-2,
[2-(4-Phenyl-2-pyrimidinyl)ethyl]amine dihydrochloride,
2-(4-PHENYL-PYRIMIDIN-2-YL)-ETHYLAMINE DIHYDROCHLORIDE,
2-(4-Phenylpyrimidin-2-yl)ethylaminedihydrochloride,
C12H13N3.2HCl,
ZX-CM003576,
9312AH,
MFCD06739043,
2-(4-phenyl-2-pyrimidinyl)ethylamine dihydrochloride,
2-(4-phenylpyrimidin-2-yl)ethan-1-amine dihydrochloride,
886367-92-6,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.173g/mol |
| Monoisotopic Mass | 271.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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