4-(2-모르폴린-4-일레톡시)아닐린

4-(2-Morpholinoethoxy)aniline

HCID 6484711

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 52481-41-1
표준 SMILES: Nc1ccc(OCCN2CCOCC2)cc1
InChIKey: ZHFFNLQQANCJEQ-UHFFFAOYSA-N
분자식: C12H18N2O2
평균 분자량: 222.28 g/mol
단동위원소 질량: 222.13682782

이름 및 식별자

우선 이름: 4-(2-Morpholinoethoxy)aniline
IUPAC: 4-(2-morpholin-4-ylethoxy)aniline
현지명: 4-(2-모르폴린-4-일레톡시)아닐린
영어명: 4-(2-MORPHOLIN-4-YLETHOXY)ANILINE
분자식: C12H18N2O2
분자량: 222.28

이름 및 동의어

4-(2-Morpholinoethoxy)anilineRefChem:512685638-907-452481-41-14-(2-morpholin-4-ylethoxy)aniline4-(2-Morpholin-4-yl-ethoxy)-phenylamine4-[2-(morpholin-4-yl)ethoxy]anilineMFCD04970981Benzenamine, 4-[2-(4-morpholinyl)ethoxy]-4-[2-(4-Morpholinyl)ethoxy]anilineAKOS0001003364-[2-(4-Aminophenoxy)ethyl]morpholine

이름 더 보기

4-(2-모르폴린-4-일레톡시)아닐린AKOS BC-0122AKOS B021958TIMTEC-BB SBB009583ART-CHEM-BB B0219584-(2-Morpholinoethoxy)aniline>4-(2-MORPHOLIN-4-YLETHOXY)ANILINE1-[2-(4-Aminophenoxy)ethyl]morpholine

CS-01868604-(2-morpholin-4-ylethoxy)aniline, AldrichCPR4-[2-Morpholin-4-ylethoxy)aniline4-(2-morpholin-4-ylethoxy)phenylamine4-[2-(4-amino-phenoxy)ethyl)-morpholine4-[2-(4-amino-phenoxy)ethyl]-morpholine(4-{[2-(4-morpholinyl)ethyl]oxy}phenyl)amine[4-[[2-(4-Morpholinyl)ethyl]oxy]phenyl]amine

데이터베이스 식별자

CAS: 52481-41-1
PubChem CID: 6484711
DTXSID: DTXSID80424482
UNII: XEN55V945L
EC Number: 638-907-4

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 47.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 187

물리화학적 성질

녹는점: 53 °C · 53 °C
끓는 점: 150 °C/0.005mmHg · 150°C/0.005mmHg(lit.)
밀도: 1.129 · 1.129±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 6.62 · 6.62±0.10(Predicted)
InChI: InChI=1S/C12H18N2O2/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10,13H2
InChIKey: ZHFFNLQQANCJEQ-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OCCN2CCOCC2)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.