에틸-1,2,4-옥사디아졸-3-카르복실레이트

1-Piperidin-4-yl-1,3-dihydro-2H-indol-2-one

HCID 2761152

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 16223-25-9
표준 SMILES: O=C1Cc2ccccc2N1C1CCNCC1
InChIKey: JQYYDAPQCHWQCC-UHFFFAOYSA-N
분자식: C13H16N2O
평균 분자량: 216.28 g/mol
단동위원소 질량: 216.12626314

이름 및 식별자

우선 이름: 1-Piperidin-4-yl-1,3-dihydro-2H-indol-2-one
IUPAC: 1-piperidin-4-yl-3H-indol-2-one
현지명: 에틸-1,2,4-옥사디아졸-3-카르복실레이트
영어명: 1-Piperidin-4-yl-1,3-dihydro-2H-indol-2-one
분자식: C13H16N2O
분자량: 216.28

이름 및 동의어

16223-25-91-Piperidin-4-yl-1,3-dihydro-2H-indol-2-oneRefChem:435799674-481-61,3-dihydro-1-(piperidin-4-yl)(2h)indol-2-one1-piperidin-4-yl-3H-indol-2-one1-piperidin-4-yl-1,3-dihydro-indol-2-oneMFCD034260851-(4-piperidyl)indolin-2-one1,3-Dihydro-1-(piperidin-4-yl)-2H-indol-2-one2H-Indol-2-one, 1,3-dihydro-1-(4-piperidinyl)-1,3-dihydro-1-(piperidin-4-yl)-(2h)-indol-2-one

이름 더 보기

에틸-1,2,4-옥사디아졸-3-카르복실레이트1-(Piperidin-4-yl)-2-oxindole1-(PIPERIDIN-4-YL)-3H-INDOL-2-ONE5-Ethyl-1,2,4-oxadiazole-3-carboxylate1-piperidin-4-yl-1,3-dihydro-1H-indol-2-one1,3-Dihydro-1-(4-piperidinyl)-2H-indol-2-one1-(4-Piperidinyl)-1,3-dihydro-2H-indol-2-one1,2,4-oxadiazole-3-carboxylic acid, ethyl ester

1-(PIPERIDIN-4-YL)-2,3-DIHYDRO-1H-INDOL-2-ONE1-(PIPERIDIN-4-YL)INDOLIN-2-ONEMixCom1_000029Peakdale1_002823SCHEMBL8287301-(4-piperidyl)indol-2-oneSCHEMBL5427154SCHEMBL29809539

데이터베이스 식별자

CAS: 16223-25-9、90536-91-7
PubChem CID: 2761152
DTXSID: DTXSID80920333
ChEBI: CHEBI:190950
EC Number: 674-481-6
Nikkaji: J1.586.303J

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 273

물리화학적 성질

녹는점: 171 · 171~174℃
끓는 점: 88 · 88-90/2.25mm
밀도: 1.186 · 1.186±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.89 · 9.89±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (93.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (96.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (96.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (96.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 30 reports by companies from 3 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.