1-Piperonylpiperazine

HCID 94426
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Basic information

CAS
32231-06-4
Standard SMILES
c1cc2c(cc1CN1CCNCC1)OCO2
InChIKey
NBOOZXVYXHATOW-UHFFFAOYSA-N
Molecular formula
C12H16N2O2
Average molar mass
220.27 g/mol
Monoisotopic mass
220.12117775

Overview

coadministration of above cpd attenuates neurotoxicity of 3,4-methylenedioxymethamphetamine; RN given refers to parent cpd

Names & identifiers

Preferred name
1-Piperonylpiperazine
IUPAC
1-(1,3-benzodioxol-5-ylmethyl)piperazine
English name
1-Piperonylpiperazine
Molecular formula
C12H16N2O2
Molecular weight
220.27

Names & synonyms

1-Piperonylpiperazine32231-06-4Piperazine, 1-(3,4-methylenedioxybenzyl)-MDBZP512G6R381XJ50.634FDTXSID70185994RefChem:435856DTXCID10108485250-968-51-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazine1-(3,4-Methylenedioxybenzyl)piperazine
Show more names
1-Benzo[1Akos B0201-PiperonyLAKOS B020126AKOS BBS-00006443PIPERONYL PIPERAZINEL-PiperonylpiperazineN-PIPERONYL PIPERAZINE
1-(1,3-Benzodioxol-5-ylmethyl)piperazineMFCD00005834Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-methylenedioxybenzylpiperazine1-(1,3-Benzodioxol-5-yl-methyl)piperazineBRN 08850381-Benzo[1,3]dioxol-5-ylmethyl-piperazine5-(piperazinylmethyl)-2H-benzo[d]1,3-dioxolene

Database identifiers

CAS
32231-06-4
PubChem CID
94426
DTXSID
DTXSID70185994
ChEMBL
CHEMBL1344680
UNII
512G6R381X
EC Number
250-968-5
Nikkaji
J50.634F

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
33.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Piperazines
Solubility31.8 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionWhite or pale yellow solid; [Alfa Aesar MSDS] Tan powder; [Aldrich MSDS]

Physicochemical properties

Melting point
36 · 36-40 °C (lit.)
Boiling point
147 · 147-149 °C/2 mmHg (lit.)
Density
1.1115 · 1.1115 (rough estimate)
refractive index
1.546 · 1.5460 (estimate)
Flash point
230 °F · >230 °F
Water Solubility
Slightly soluble in water

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (10.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAttenuates the neurotoxicity of 3,4-methylenedioxymethamphetamine when co-administered; [ChemIDplus] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] An irritant; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (89.4%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
TM1550000
ridadr
3259
hs_code
29349990
risk_code
36/37/38

Chemistry & industry

Applications

Uses1-Piperonylpiperazine (cas# 32231-06-4) is a compound useful in organic synthesis.

General DescriptionThe effect of 1-piperonylpiperazine on 3,4-methylenedioxymethamphetamine (MDMA) induced neurotoxicity was studied.

Upstream & downstream products

Suppliers93 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]

Related reactions

102 records
New reaction record

Compound notes

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