CAS 13078-14-3 1-(p-Tolyl)piperazine dihydrochloride (HCID 83112)

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Basic information

CAS: 13078-14-3
Standard SMILES: Cc1ccc(N2CCNCC2)cc1.Cl.Cl
InChIKey: PMGFOTNCJZITIM-UHFFFAOYSA-N
Molecular formula: C11H18Cl2N2
Average molar mass: 249.18 g/mol
Monoisotopic mass: 248.084704

Names & identifiers

Preferred name: 1-(p-Tolyl)piperazine dihydrochloride
IUPAC: 1-(4-methylphenyl)piperazine;dihydrochloride

Names & synonyms

1-(p-Tolyl)piperazine dihydrochloride1-(p-Tolyl)piperazine HClEINECS 235-975-3NSC 71663RefChem:428233235-975-313078-14-31-(4-methylphenyl)piperazine dihydrochloride1-(4-methylphenyl)piperazine;dihydrochloridePiperazine, 1-(4-methylphenyl)-, monohydrochloride4-(4-methylphenyl)piperazine dihydrochloride(4-methylphenyl)piperazine, chloride, chloride

Show more names

SCHEMBL3144044-tolylpiperazine dihydrochloridePMGFOTNCJZITIM-UHFFFAOYSA-NDTXSID1013673971-p-tolyl-piperazine dihydrochlorideSBB003157AKOS0159590134-Methylphenyl piperazine dihydrochloride

Database identifiers

CAS: 13078-14-3
PubChem CID: 83112
DTXSID: DTXSID101367397
EC Number: 235-975-3

Properties

Computed structural properties

Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 144

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.