에틸-3-피페리딘아세테이트HCL

Ethyl 2-(piperidin-3-yl)acetate hydrochloride

HCID 44118456

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 16780-05-5
표준 SMILES: CCOC(=O)CC1CCCNC1.Cl
InChIKey: NUFQPPPCFKZWRT-UHFFFAOYSA-N
분자식: C9H18ClNO2
평균 분자량: 207.7 g/mol
단동위원소 질량: 207.1026065

이름 및 식별자

우선 이름: Ethyl 2-(piperidin-3-yl)acetate hydrochloride
IUPAC: ethyl 2-piperidin-3-ylacetate;hydrochloride
현지명: 에틸-3-피페리딘아세테이트HCL
영어명: Ethyl-3-piperidine acetate HCl
분자식: C9H18ClNO2
분자량: 207.7

이름 및 동의어

ethyl 2-(piperidin-3-yl)acetate hydrochlorideRefChem:594042835-970-116780-05-5Ethyl 3-Piperidylacetate Hydrochlorideethyl piperidin-3-ylacetate hydrochlorideETHYL-3-PIPERIDINE ACETATE HCLMFCD08059314Piperidin-3-yl-acetic acid ethyl ester hydrochlorideethyl 2-piperidin-3-ylacetate;hydrochloride2-(Piperidin-3-yl)acetic acid ethyl ester hydrochloride3-Piperidineacetic acid, ethyl ester, hydrochloride (1:1)

이름 더 보기

에틸-3-피페리딘아세테이트HCLacetate hydrochlorideEthyl 2-(piperidin-3-yl)Ethyl 3-piperidinylacetate hydrochlorideEthyl 3-piperidinylacetate hydrochloride (1:1)

3-piperidineacetic acid ethyl ester hydrochloride3-Piperidineacetic acid, ethyl ester, hydrochloride(R)-3-Piperidine acetate ethyl ester hydrochloride3-Piperidine acetate ethyl ester hydrochlorideSCHEMBL6958695Ethyl piperidin-3-ylacetate HClDTXSID70656851NUFQPPPCFKZWRT-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 16780-05-5
PubChem CID: 44118456
DTXSID: DTXSID70656851
EC Number: 835-970-1

물성

구조 계산 물성

극성 표면적: 38.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 146 ℃ · 146℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: solid
InChI: 1S/C9H17NO2.ClH/c1-2-12-9(11)6-8-4-3-5-10-7-8;/h8,10H,2-7H2,1H3;1H
InChIKey: NUFQPPPCFKZWRT-UHFFFAOYSA-N
SMILES: Cl.N1CC(CCC1)CC(=O)OCC

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 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.