1,1-Dimethyl-4-phenylpiperazin-1-ium iodide

Modify Date: 2025-08-26 08:22:09

1,1-Dimethyl-4-phenylpiperazin-1-ium iodide Structure
1,1-Dimethyl-4-phenylpiperazin-1-ium iodide structure
Common Name 1,1-Dimethyl-4-phenylpiperazin-1-ium iodide
CAS Number 54-77-3 Molecular Weight 318.197
Density N/A Boiling Point N/A
Molecular Formula C12H19IN2 Melting Point 234-238 °C(lit.)
MSDS USA Flash Point N/A
Symbol GHS07
GHS07
Signal Word Warning

 Use of 1,1-Dimethyl-4-phenylpiperazin-1-ium iodide


1,1-Dimethyl-4-phenylpiperazin-1-ium iodide is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

 Names

Name 1,1-dimethyl-4-phenylpiperazinium iodide
Synonym More Synonyms

  Biological Activity

Description 1,1-Dimethyl-4-phenylpiperazin-1-ium iodide is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog

 Chemical & Physical Properties

Melting Point 234-238 °C(lit.)
Molecular Formula C12H19IN2
Molecular Weight 318.197
Exact Mass 318.059296
PSA 3.24000
InChIKey XFZJGFIKQCCLGK-UHFFFAOYSA-M
SMILES C[N+]1(C)CCN(c2ccccc2)CC1.[I-]
Storage condition −20°C
Water Solubility H2O: 21 mg/mL

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM3385000
CHEMICAL NAME :
Piperazinium, 1,1-dimethyl-4-phenyl-, iodide
CAS REGISTRY NUMBER :
54-77-3
LAST UPDATED :
199009
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C12-H19-N2.I
MOLECULAR WEIGHT :
318.23
WISWESSER LINE NOTATION :
T6K DNTJ A1 A1 DR &Q &I

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18500 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 97,186,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1030 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 61(2),39S,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1600 ug/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
EJPHAZ European Journal of Pharmacology. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1967- Volume(issue)/page/year: 11,75,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
28 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 103,330,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 103,330,1951

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS TM3385000
HS Code 2933599090

 Synthetic Route

~%

1,1-Dimethyl-4-phenylpiperazin-1-ium iodide Structure

1,1-Dimethyl-4-...

CAS#:54-77-3

Literature: Collection of Czechoslovak Chemical Communications, , vol. 7, p. 93,101

~%

1,1-Dimethyl-4-phenylpiperazin-1-ium iodide Structure

1,1-Dimethyl-4-...

CAS#:54-77-3

Literature: Collection of Czechoslovak Chemical Communications, , vol. 7, p. 93,101

~%

1,1-Dimethyl-4-phenylpiperazin-1-ium iodide Structure

1,1-Dimethyl-4-...

CAS#:54-77-3

Literature: Collection of Czechoslovak Chemical Communications, , vol. 7, p. 93,101 US2636032 , ;

 Customs

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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 Bioassay

View more

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay
Source: ChEMBL
Target: N/A
External Id: CHEMBL1266185
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL4296184
Name: Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1315
Name: Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4296186
Name: Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL4296185
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 Synonyms

MFCD00011976
Piperazinium, 1,1-dimethyl-4-phenyl-, iodide (1:1)
1,1-DIMETHYL-4-PHENYLPIPERAZINIUM IODIDE
1,1-dimethyl-4-phenylpiperazin-1-ium,iodide
Piperazinium, 1,1-dimethyl-4-phenyl-, iodide
EINECS 200-213-0
1,1-Dimethyl-4-phenylpiperazin-1-ium iodide
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