CAS 13078-13-2 1-(m-Tolyl)piperazine dihydrochloride (HCID 83110)

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Basic information

CAS: 13078-13-2
Standard SMILES: Cc1cccc(N2CCNCC2)c1.Cl.Cl
InChIKey: QJNWTYUDISMTMR-UHFFFAOYSA-N
Molecular formula: C11H18Cl2N2
Average molar mass: 249.18 g/mol
Monoisotopic mass: 248.08470394

Names & identifiers

Preferred name: 1-(m-Tolyl)piperazine dihydrochloride
IUPAC: 1-(3-methylphenyl)piperazine;dihydrochloride
English name: 1-(3-Methylphenyl)piperazine dihydrochloride hydrate
Molecular formula: C11H16N2.2ClH
Molecular weight: 249.18

Names & synonyms

13078-13-21-(m-Tolyl)piperazine dihydrochloride1-(m-Tolyl)piperazine HClEINECS 235-974-8DTXSID80156736NSC 71662RefChem:74710DTXCID4079227235-974-8N-(m-Tolyl)piperazine Dihydrochloride1-(3-methylphenyl)piperazine dihydrochloride1-(3-METHYLPHENYL)PIPERAZINE DIHYDROCHLORIDE HYDRATE

Show more names

TIMTEC-BB SBB003158N-(M-Tolyl)piperazine diHCl1-(M-TOLYL)PIPERAZINE DI HCLM-TOLYLPIPERAZINE HYDROCHLORIDEN-(3-Methylphenyl)piperazinedi2HCl1-(m-Tolyl)piperazine hydrochloride

MFCD000352844-(3-methylphenyl)piperazine dihydrochlorideN-(3-METHYLPHENYL)PIPERAZINE DIHYDROCHLORIDENSC-71662(3-methylphenyl)piperazine, chloride, chlorideN4ER3EG3YUSCHEMBL3143991-m-Tolylpiperazine dihydrochloride

Database identifiers

CAS: 13078-13-2
PubChem CID: 83110
DTXSID: DTXSID80156736

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: 152

Physicochemical properties

Melting point: 195 · 195-202 °C
form: powder to crystal
color: White to Almost white
CAS DataBase Reference: 13078 · 13078-13-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: T
Risk Statements: 36 · 36/37/38-24-22
Safety Statements: 45 · 45-36/37/39-26
HS Code: 2933.59 · 2933.59.8000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

hs_code: 2933.59.8000
risk_code: 36/37/38-24-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 45-36/37/39-26
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313