4-에틸-4-피페리딘카르복실산(SALTDATA:0.95HCl0.07디옥산)

4-Ethylpiperidine-4-carboxylic acid

HCID 50944203

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1227465-48-6
표준 SMILES: CCC1(C(=O)O)CCNCC1
InChIKey: KXKKAGIATNDDON-UHFFFAOYSA-N
분자식: C8H15NO2
평균 분자량: 157.21 g/mol
단동위원소 질량: 157.11027872

이름 및 식별자

우선 이름: 4-Ethylpiperidine-4-carboxylic acid
IUPAC: 4-ethylpiperidine-4-carboxylic acid
현지명: 4-에틸-4-피페리딘카르복실산(SALTDATA:0.95HCl0.07디옥산)
영어명: 4-ethyl-4-piperidinecarboxylic acid(SALTDATA: 0.95HCl 0.07dioxane)
분자식: C8H15NO2
분자량: 157.21

이름 및 동의어

4-ethylpiperidine-4-carboxylic acid1227465-48-64-ethyl-4-piperidinecarboxylic acid4-piperidinecarboxylic acid, 4-ethyl-, hydrochlorideSCHEMBL855051KXKKAGIATNDDON-UHFFFAOYSA-N4-ethylpiperidine-4-carboxylicacidALBB-0167254-ethyl-4-piperidinecarboxylic acid(SALTDATA: 0.95HCl 0.07dioxane)AKOS0124259984-Piperidinecarboxylic acid, 4-ethyl-SB41761

이름 더 보기

4-에틸-4-피페리딘카르복실산(SALTDATA:0.95HCl0.07디옥산)4-Ethyl-4-piperidinecarboxylic acid hydrochloride4-Ethylpiperidine-4-carboxylic acid hydrochloride

DB-128934CS-0296526EN300-68591

데이터베이스 식별자

CAS: 1227465-48-6
PubChem CID: 50944203
EC Number: 802-526-3

물성

구조 계산 물성

XLogP: -1.7
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 150

물리화학적 성질

끓는 점: 274.9 · 274.9±33.0 °C(Predicted)
밀도: 1.042 · 1.042±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.11 · 4.11±0.20(Predicted)
물리적 상태: solid
InChI: 1S/C8H15NO2.ClH/c1-2-8(7(10)11)3-5-9-6-4-8;/h9H,2-6H2,1H3,(H,10,11);1H
InChIKey: MEFRCHLVUQTJPQ-UHFFFAOYSA-N
SMILES: Cl.CCC1(CCNCC1)C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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.；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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Aquatic Acute 1 (100%)

안전 데이터

wgk: WGK 3
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사5 곳

凯方医药科技有限公司—

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

常州欣特科化工有限公司519-88298820 15861130028 · [email protected]

北京百灵威科技有限公司18210857532 18210857532 · [email protected]

南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]

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