TRANS-1-シンナミルピペラジン

1-Cinnamylpiperazine

HCID 726896CAS 18903-01-0

部分構造検索類似構造を探す

基本情報

標準SMILES: C(=C\c1ccccc1)/CN1CCNCC1
InChIKey: WGEIOMTZIIOUMA-QPJJXVBHSA-N
分子式: C13H18N2
平均分子量: 202.3 g/mol
単同位体質量: 202.14699858

名称と識別子

優先名称: 1-Cinnamylpiperazine
IUPAC: 1-[(E)-3-phenylprop-2-enyl]piperazine
現地名: TRANS-1-シンナミルピペラジン
英語名: trans-1-Cinnamylpiperazine
分子式: C13H18N2
分子量: 202.3

名称と別名

1-Cinnamylpiperazine18903-01-0EINECS 242-652-0RefChem:431512242-652-0trans-1-Cinnamylpiperazine87179-40-61-(3-phenyl-2-propenyl)piperazine(E)-1-Cinnamylpiperazine1-(Cinnamyl)piperazine1-(3-phenylprop-2-en-1-yl)piperazine1-((E)-3-Phenylallyl)piperazine

名称をさらに表示

TRANS-1-シンナミルピペラジンtrans-1-シンナミルピペラジン, 97%TIMTEC-BB SBB000411Flunarizine Impurity 9LABOTEST-BB LT00233225trans-1-Ciamylpiperazine1-TRANS-CINNAMYL PIPERAZINE1-(3-PHENYL-ALLYL)-PIPERAZINE

N-CinnamylpiperazineMFCD000632511-[(2E)-3-phenylprop-2-en-1-yl]piperazine1-[(E)-3-phenylprop-2-enyl]piperazineSCHEMBL1151817Piperazine, 1-(3-phenyl-2-propen-1-yl)-cinnamylpiperazinePiperazine, 1-[(2E)-3-phenyl-2-propen-1-yl]-

データベース識別子

CAS: 18903-01-0、87179-40-6
PubChem CID: 726896
DTXSID: DTXSID501035300
ChEMBL: CHEMBL503140
EC Number: 242-652-0、673-639-1
Nikkaji: J29.025D

物性

構造計算による物性

XLogP: 1.7
極性表面積: 15.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 189

物理化学的性質

融点: 39 · 39-44 °C(lit.)
沸点: 129 °C1 · 129 °C1 mm Hg(lit.)
比重(密度): 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
屈折率: 1.574 · 1.574-1.576
闪点: 230 °F · >230 °F
貯蔵温度: Refrigerator, under inert atmosphere
溶解性: クロロホルム（少量）、メタノール（少量）
外見: 個体
酸解離定数(Pka): 9.17 · 9.17±0.10(Predicted)
色: ペールイエロー
BRN: 608984 · 608984
InChI: InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2/b7-4+
InChIKey: WGEIOMTZIIOUMA-QPJJXVBHSA-N
SMILES: N1(C/C=C/C2=CC=CC=C2)CCNCC1
CAS データベース: 87179 · 87179-40-6(CAS DataBase Reference)

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

危険有害性情報

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29335995
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39

化学と産業

薬理情報

Metabolism/Metabolites1-Cinnamylpiperazine is a known human metabolite of cinnarizine.

応用分野 · 4 件

説明trans-1-Cinnamylpiperazine is a piperazine derivative. It was used as a test compound to investigate the in vitro efficacy as an antiprotozoal against Philasterides dicentrarchi. It may be used to synthesize Incentrom A derivatives.

使用trans-1-Cinnamylpiperazine is used in the synthesis of bile acid piperazinyl derivatives which display pro-apoptotic properties on carcinoma human cell lines.

一般的な説明trans-1-Cinnamylpiperazine is a piperazine derivative.

一般的な説明trans-1-Cinnamylpiperazine is an important organic synthetic reagent for the preparation of opioid tripeptides hybridised with trans-1-Cinnamylpiperazine, which exhibits low haematotoxicity and good cancer cell growth as an inhibitor of pancreatic cancer cell proliferation in two- and three-dimensional in vitro models Inhibition. It was also used in the preparation of the anticonvulsant active substance cinnamylpiperazine derivatives.

サプライヤー50 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]