p-Cresol, 2-methoxy-alpha-(4-(2-pyrimidinyl)-1-piperazinyl)-, hydrochloride, hydrate (2:4:1)
2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol;dihydrochloride
| Molecular Formula | C16H22Cl2N4O2 |
|---|---|
| Molecular Weight | 373.3 g/mol |
| Topological Polar Surface Area | 61.7 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.11197 |
| Heavy Atoms | 24 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 3601-83-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3)O.Cl.Cl |
| InChIKey | NEJSHLSJMMAVQZ-UHFFFAOYSA-N |
📖 Product Overview
p-Cresol, 2-methoxy-alpha-(4-(2-pyrimidinyl)-1-piperazinyl)-, hydrochloride, hydrate (2:4:1) (CAS: 3601-83-0) is a chemical compound with molecular formula C16H22Cl2N4O2 and molecular weight 373.3 g/mol. Its IUPAC systematic name is 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol;dihydrochloride.
NEJSHLSJMMAVQZ-UHFFFAOYSA-N.
SMILES: COC1=C(C=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3)O.Cl.Cl.
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