| CAS Number | 108983-83-1 |
| Catalog Number | AG0082XF(AGN-PC-0OZ23E) |
| Chemical Name | 4-(Diphenylmethyl)-1-piperazineethanol dihydrochloride |
| IUPAC Name | 2-(4-benzhydrylpiperazin-1-yl)ethanol;dihydrochloride |
| InChI | InChI=1S/C19H24N2O.2ClH/c22-16-15-20-11-13-21(14-12-20)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18;;/h1-10,19,22H,11-16H2;2*1H |
| InChI Key | DJRDCMNGICGKGJ-UHFFFAOYSA-N |
| MDL Number | MFCD03844661 |
| Molecular Formula | C19H26Cl2N2O |
| Molecular Weight | 369.3285 |
| SMILES | Cl.Cl.OCCN1CCN(CC1)C(c2ccccc2)c3ccccc3 |
| Synonyms | 108983-83-1,
4-(Diphenylmethyl)-1-piperazineethanol dihydrochloride,
2-(4-Benzhydrylpiperazin-1-yl)ethanol dihydrochloride,
Cetirizine Related Compound,
CTK8E4609,
DTXSID90640999,
MFCD03844661,
AKOS015900484,
AC-5327,
AN-11090,
DB-059802,
RT-009267,
FT-0756002,
2-(4-benzhydrylpiperazin-1-yl)ethanol;dihydrochloride,
2-(4-Benzhydryl-piperazin-1-yl)-ethanol dihydrochloride,
2-(4-Benzhydrylpiperazin-1-yl)ethan-1-ol Dihydrochloride,
1-diphenylmethyl-4-(2-hydroxyethyl)piperazine dihydrochloride,
2-[4-(Diphenylmethyl)piperazin-1-yl]ethan-1-ol--hydrogen chloride (1/2),
DJRDCMNGICGKGJ-UHFFFAOYSA-N,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.33g/mol |
| Monoisotopic Mass | 368.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P301+P312+P330
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UN Code
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Certificate of Analysis
Lot Number