4-(2-PYRROLIDIN-1-YL-ETHOXY)-페닐라민

4-(2-(Pyrrolidin-1-yl)ethoxy)aniline

HCID 6493749

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 50609-01-3
표준 SMILES: Nc1ccc(OCCN2CCCC2)cc1
InChIKey: OTYZNDKWNPQQJP-UHFFFAOYSA-N
분자식: C12H18N2O
평균 분자량: 206.28 g/mol
단동위원소 질량: 206.1419132

이름 및 식별자

우선 이름: 4-(2-(Pyrrolidin-1-yl)ethoxy)aniline
IUPAC: 4-(2-pyrrolidin-1-ylethoxy)aniline
현지명: 4-(2-PYRROLIDIN-1-YL-ETHOXY)-페닐라민
영어명: 4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYLAMINE
분자식: C12H18N2O
분자량: 206.28

이름 및 동의어

4-(2-(pyrrolidin-1-yl)ethoxy)aniline50609-01-34-[2-(pyrrolidin-1-yl)ethoxy]anilineQQ4SSP6EGTDTXSID50424631RefChem:1069786DTXCID803754654-(2-Pyrrolidin-1-yl-ethoxy)-phenylamine4-(2-pyrrolidin-1-ylethoxy)anilineMFCD077901984-(2-Pyrrolidinoethoxy)anilineBenzenamine, 4-[2-(1-pyrrolidinyl)ethoxy]-

이름 더 보기

4-(2-PYRROLIDIN-1-YL-ETHOXY)-페닐라민)ethoxy]aniL4-[2-(1-PyrroL4-(2-(Pyrrolidin-1-yl)

4-(2-(pyrrolidin-1-yl)ethoxy)benzenamine4-(2-pyrrolidinylethoxy)phenylamineFedratinib Impurity 1SCHEMBL56495SCHEMBL3578343OTYZNDKWNPQQJP-UHFFFAOYSA-N4-(2-pyrrolidinoethoxy)phenylamineSBB011155

데이터베이스 식별자

CAS: 50609-01-3
PubChem CID: 6493749
DTXSID: DTXSID50424631
UNII: QQ4SSP6EGT
EC Number: 690-003-9

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 38.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 172

물리화학적 성질

끓는 점: 362.2 · 362.2±22.0 °C(Predicted)
밀도: 1.097 · 1.097±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.76 · 9.76±0.20(Predicted)
InChI: InChI=1S/C12H18N2O/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10,13H2
InChIKey: OTYZNDKWNPQQJP-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OCCN2CCCC2)C=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.