3-Piperidinopropiophenone

Benzhexol Impurity 1 · β-Piperidinopropiophenone · 3-(1-Piperidinyl)propiophenone · β-(1-Piperidinyl)propiophenone · 1-Phenyl-3-piperidinopropan-1-one · 1-Phenyl-3-piperidino-1-propanone · 3-(1-Piperidinyl)propiophenone HCl · 3-(1-PIPERIDINYL)PROPIOPHENONE 98%

https://huagongshe.com/ko/chemical/70172

식별자 및 물리적 특성

CAS No.	73-63-2
분자식	C14H19NO
평균 분자량	217.31 g/mol
단동위원소 질량	217.14666423 g/mol
SMILES	O=C(CCN1CCCCC1)c1ccccc1
InChIKey	BIBARRYXKABQKJ-UHFFFAOYSA-N
PubChem CID	70172
ChEMBL	CHEMBL1301346
EC No.	635-445-5
DTXSID	DTXSID60223273

화학 및 물리적 성질

XLogP	2.4
극성 표면적	20.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	16
형식 전하	0
복잡도	215
LogP(분배 계수)	2.4
녹는점	192-193 °C
끓는 점	135-136 °C(Press: 1.0 Torr)
밀도	1.029±0.06 g/cm3(Predicted)
저장 조건	2-8°C
pKa(산도 계수)	8.78±0.10(Predicted)
InChI	InChI=1S/C14H19NO/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
InChIKey	BIBARRYXKABQKJ-UHFFFAOYSA-N
SMILES	C(C1=CC=CC=C1)(=O)CCN1CCCCC1

안전 및 규제

GHS 분류	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Cease Manufacture Update: 01-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20397
Hazard Classes and Categories	Acute Tox. 4 (100%)
신호 어	Warning
유해·위험 문구	암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

용도

3-Piperidinopropiophenone is used in the synthesis of semicarbazones of acetophenone which possesses anti-convulsant activity. Also, it is an intermediate used in the synthesis of Cycrimine Hydrochloride (C991450), which is a cholinolytic anti-Parkinson drug which can cause neuromuscular blockades in isolated rat diaphragms.