1-Cinnamylpiperazine (HCID 726896)

이름 및 식별자

우선 이름: 1-Cinnamylpiperazine
IUPAC: 1-[(E)-3-phenylprop-2-enyl]piperazine
영어명: trans-1-Cinnamylpiperazine
분자식: C13H18N2
분자량: 202.3

이름 및 동의어

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

이름 더 보기

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]-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 189

물리화학적 성질

녹는점: 39 · 39-44 °C(lit.)
끓는 점: 129 °C1 · 129 °C1 mm Hg(lit.)
밀도: 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
굴절률: 1.574 · 1.574-1.576
인화점: 230 °F · >230 °F
저장 조건: Refrigerator, under inert atmosphere
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.17 · 9.17±0.10(Predicted)
색상: 옅은 노랑
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

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

안전 데이터

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

화학 및 산업

약리 정보

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

응용 분야 · 4건

개요trans-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.

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

일반 설명trans-1-Cinnamylpiperazine is a piperazine derivative.

일반 설명trans-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.

공급사50 곳

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]

연결된 노트

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1-Cinnamylpiperazine

기본 정보