| CAS Number | 65709-60-6 |
| Catalog Number | AG01E8UL(AGN-PC-0THV0M) |
| Chemical Name | 4-(piperazin-2-yl)phenol dihydrochloride |
| IUPAC Name | 4-piperazin-2-ylphenol;dihydrochloride |
| InChI | InChI=1S/C10H14N2O.2ClH/c13-9-3-1-8(2-4-9)10-7-11-5-6-12-10;;/h1-4,10-13H,5-7H2;2*1H |
| InChI Key | KTHUMVJJRVBPMT-UHFFFAOYSA-N |
| MDL Number | MFCD30730663 |
| Molecular Formula | C10H16Cl2N2O |
| Molecular Weight | 251.1528 |
| SMILES | Cl.Cl.OC1=CC=C(C2NCCNC2)C=C1 |
| Synonyms | 4-(piperazin-2-yl)phenol dihydrochloride,
SCHEMBL11553193,
Z2798585542,
65709-60-6,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.151g/mol |
| Monoisotopic Mass | 250.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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