1-Piperonylpiperazine (HCID 94426)

개요

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

이름 및 식별자

우선 이름: 1-Piperonylpiperazine
IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)piperazine
영어명: 1-Piperonylpiperazine
분자식: C12H16N2O2
분자량: 220.27

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 33.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 231

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점: 36 · 36-40 °C (lit.)
끓는 점: 147 · 147-149 °C/2 mmHg (lit.)
밀도: 1.1115 · 1.1115 (rough estimate)
굴절률: 1.546 · 1.5460 (estimate)
인화점: 230 °F · >230 °F
수용성: 물에 약간 용해됨
산도 계수 (pKa): 9.14 · 9.14±0.10(Predicted)
물리적 상태: 결정질 고체
색상: 흰색에서 노란색 또는 황갈색
BRN: 885038 · 885038
InChI: 1S/C12H16N2O2/c1-2-11-12(16-9-15-11)7-10(1)8-14-5-3-13-4-6-14/h1-2,7,13H,3-6,8-9H2
InChIKey: NBOOZXVYXHATOW-UHFFFAOYSA-N
SMILES: C1CN(CCN1)Cc2ccc3OCOc3c2

화학적 성질

white to yellow or yellow-brownish cryst. solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
rtecs: TM1550000
ridadr: 3259
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
포장분류: II
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Piperonylpiperazine (cas# 32231-06-4) is a compound useful in organic synthesis.

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

상·하류 제품 정보

상류 원료

하류 제품

2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine

공급사50 곳

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]

연결된 노트

불러오는 중…

1-Piperonylpiperazine

기본 정보

개요