| CAS Number | 502653-18-1 |
| Catalog Number | AG00DLPQ(AGN-PC-0S7CTL) |
| Chemical Name | 2-Phenyl-1-(piperazin-1-yl)ethanone hydrochloride |
| IUPAC Name | 2-phenyl-1-piperazin-1-ylethanone;hydrochloride |
| InChI | InChI=1S/C12H16N2O.ClH/c15-12(14-8-6-13-7-9-14)10-11-4-2-1-3-5-11;/h1-5,13H,6-10H2;1H |
| InChI Key | KZFZUNOXEDDALC-UHFFFAOYSA-N |
| MDL Number | MFCD28040565 |
| Molecular Formula | C12H17ClN2O |
| Molecular Weight | 240.7292 |
| SMILES | Cl.O=C(N1CCNCC1)CC1=CC=CC=C1 |
| Synonyms | 2-Phenyl-1-(piperazin-1-yl)ethanone hydrochloride,
502653-18-1,
2-phenyl-1-(piperazin-1-yl)ethan-1-one hydrochloride,
SCHEMBL20337874,
KS-00000SBK,
MFCD28040565,
AKOS024259593,
DS-7137,
AK152014,
2-Phenyl-1-(piperazin-1-yl)ethanone HCl,
ST2404533,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.731g/mol |
| Monoisotopic Mass | 240.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^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-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number