1-(2-벤조일에틸)피페리디늄클로라이드

3-Piperidinopropiophenone hydrochloride

HCID 70171CAS 886-06-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cl.O=C(CCN1CCCCC1)c1ccccc1
InChIKey
XIROGEVVNHGHFZ-UHFFFAOYSA-N
분자식
C14H20ClNO
평균 분자량
253.77 g/mol
단동위원소 질량
253.123342

이름 및 식별자

우선 이름
3-Piperidinopropiophenone hydrochloride
IUPAC
1-phenyl-3-piperidin-1-ylpropan-1-one;hydrochloride
현지명
1-(2-벤조일에틸)피페리디늄클로라이드
영어명
1-(2-benzoylethyl)piperidinium chloride
분자식
C14H20ClNO
분자량
253.7677

이름 및 동의어

886-06-61-phenyl-3-(piperidin-1-yl)propan-1-one hydrochloride3-Piperidinopropiophenone hydrochloride1-(2-Benzoylethyl)piperidinium chlorideNA 65 hydrochloride1-Propanone, 1-phenyl-3-(1-piperidinyl)-, hydrochlorideN-(2-Benzoylethyl)piperidine hydrochloride3-Piperidinopropiophenone HClbeta-Piperidinopropiophenone hydrochlorideAHK6YP2A9PPropiophenone, 3-piperidino-, hydrochlorideS 220 (VAN)
이름 더 보기
1-(2-벤조일에틸)피페리디늄클로라이드Pridinol impurity BTrihexyphenidyl impurity 6Trihexyphenidyl EP Impurity A HClBenzhexol Impurity 1 Hydrochloride1-Phenyl-3-(piperidin-1-yl)propan-1TrihexylphenidylRelatedCompoundA.HCL-(1-PIPERIDYL)PROPIOPHENONE HYDROCHLORIDE1-PHENYL-3-(PIPERIDIN-1-YL)PROPAN-1-ONE HCL1-phenyl-3-piperidino-propan-1-one hydrochloride
EINECS 212-947-9CV-950NSC 1450131-Phenyl-3-(1-piperidinyl)-1-propanone hydrochloride3-(1-Piperidinyl)propiophenone hydroChloridebeta-(1-Piperidyl)propiophenone hydrochlorideN-(beta-Benzoylethyl)piperidine hydrochloridePropiophenone, beta-piperidino-, hydrochloride

데이터베이스 식별자

CAS
886-06-6
PubChem CID
70171
DTXSID
DTXSID60237193
ChEMBL
CHEMBL1301346
UNII
AHK6YP2A9P
EC Number
212-947-9

물성

구조 계산 물성

극성 표면적
20.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
17

물리화학적 성질

녹는점
192 · 192-193 °C(Solv: ethanol (64-17-5); acetone (67-64-1))
저장 조건
Sealed in dry,Room Temperature
물리적 상태
solid
InChI
InChI=1S/C14H19NO.ClH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15;/h1,3-4,7-8H,2,5-6,9-12H2;1H
InChIKey
XIROGEVVNHGHFZ-UHFFFAOYSA-N
SMILES
C1(C=CC=CC=1)C(=O)CCN1CCCCC1.Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19900
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (92.9%)；Eye Dam. 1 (92.9%)；STOT SE 3 (92.9%)

규제 정보

Regulatory InformationStatus: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19900

안전 데이터

독성
LD50 intraperitoneal in mouse: 61mg/kg
HS 번호
2933399090

화학 및 산업

응용 분야

용도3-Piperidinopropiophenone is a mono Mannich base derived from acetophenone with antibacterial, antifungal and antitumor activity. 3-Piperidinopropiophenone shows cytotoxicity againts Jurkat cells.

상·하류 제품 정보

공급사47 곳

上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

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