| CAS Number | 1177360-33-6 |
| Catalog Number | AG00HE8C |
| Chemical Name | 2-(Piperazin-1-ylmethyl)phenol diHCl |
| IUPAC Name | 2-(piperazin-1-ylmethyl)phenol;dihydrochloride |
| InChI | InChI=1S/C11H16N2O.2ClH/c14-11-4-2-1-3-10(11)9-13-7-5-12-6-8-13;;/h1-4,12,14H,5-9H2;2*1H |
| InChI Key | WNFYMUMTWXGBMF-UHFFFAOYSA-N |
| MDL Number | MFCD11655715 |
| Molecular Formula | C11H18Cl2N2O |
| Molecular Weight | 265.1794 |
| SMILES | Cl.Cl.OC1=C(CN2CCNCC2)C=CC=C1 |
| Synonyms | 2-(piperazin-1-ylmethyl)phenol dihydrochloride,
BHZ-3347,
ZX-BK003025,
2-(Piperazin-1-ylmethyl)phenol diHCl,
AKOS005143752,
1177360-33-6,
H8976,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.178g/mol |
| Monoisotopic Mass | 264.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number