1-(1-Naphthyl)piperazine hydrochloride

HCID 2737391

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 104113-71-5
표준 SMILES: Cl.c1ccc2c(N3CCNCC3)cccc2c1
InChIKey: ZYVYPNZFOCZLEM-UHFFFAOYSA-N
분자식: C14H17ClN2
평균 분자량: 248.75 g/mol
단동위원소 질량: 248.10802622

이름 및 식별자

우선 이름: 1-(1-Naphthyl)piperazine hydrochloride
IUPAC: 1-naphthalen-1-ylpiperazine;hydrochloride
영어명: 1-(1-Naphthyl)piperazine hydrochloride
분자식: C14H17ClN2
분자량: 248.75

이름 및 동의어

1-(1-Naphthyl)piperazine hydrochloride104113-71-51-(Naphthalen-1-yl)piperazine hydrochloridenaphthylpiperazine hydrochloride1-(1-Naphthyl)piperazine (hydrochloride)MFCD000551611-NP1-naphthalen-1-ylpiperazine;hydrochloride1-(1-Naphthyl)piperazine HCl1-(1-Naphthyl)piperazinemiddotHCl1-(Naphth-1-yl)piperazine diHCl1-Naphthalen-1-yl-piperazine hydrochloride

이름 더 보기

NPPITIMTEC-BB SBB0031611-(1-NAPHTHYL)PIPERAZINE1-(1-Naphthalenyl)piperazine1-(1-Naphthyl)piperazine*2HCl1-(Piperazin-1-yl)naphthalene1-(Naphthalen-1-yl)piperazineHCl

EU-0101181MLS000859936SCHEMBL466870orb1306295CHEMBL1256192DTXSID30908803ZYVYPNZFOCZLEM-UHFFFAOYSA-NTox21_501181

데이터베이스 식별자

CAS: 104113-71-5
PubChem CID: 2737391
DTXSID: DTXSID30908803
ChEMBL: CHEMBL1256192
EC Number: 673-494-4

물성

구조 계산 물성

극성 표면적: 15.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 223

실험 및 물리화학적 성질

Solubility>37.3 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 235 · 235-237 °C
저장 조건: -20 °C · Store at -20°C
용해도: 2 O: · H2O: 용해성
물리적 상태: 바늘같은 물질
색상: 하얀색
InChI: InChI=1S/C14H16N2.ClH/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16;/h1-7,15H,8-11H2;1H
InChIKey: ZYVYPNZFOCZLEM-UHFFFAOYSA-N
SMILES: C1(C=CC=C2C=CC=CC=12)N1CCNCC1.Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3

화학 및 산업

응용 분야 · 2건

개요1-(1-Naphthyl)piperazine (1-NP) is a ligand for serotonin (5-hydroxytryptamine, 5-HT) receptors. It acts as an antagonist for 5-HT at 5-HT1 and 5-HT2 in rat cortical membranes with IC50 values of 6 and 1 nM, respectively. 1-NP also blocks contraction in the rat fundus induced by either 5-HT or tryptamine (IC50 = 1 nM for both agonists). 1-NP mimics the 5-HT1 agonist 1-(m-trifluoromethylphenyl)piperazine (TFMPP, ) in decreasing 5-HT receptor turnover and increasing serum corticosterone, suggesting that, in the absence of 5-HT, 1-NP may act as an agonist of the 5-HT1 receptor. However, in squirrel monkeys, 1-NP acts as a non-selective 5-HT receptor antagonist in altering operant behavior. 1-NP also binds to the human 5-HT6 receptor with an affinity comparable to that of 5-HT (Kis = 120 and 100 nM, respectively).

용도1-(1-Naphthyl)piperazinemiddotHCl is a mixed agonist/antagonist of the serotonin receptors.