2-이소프로폭시아닐린

2-(1-Methylethoxy)benzenamine

HCID 34436CAS 29026-74-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)Oc1ccccc1N
InChIKey: PZOZYLSYQJYXBI-UHFFFAOYSA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

이름 및 식별자

우선 이름: 2-(1-Methylethoxy)benzenamine
IUPAC: 2-propan-2-yloxyaniline
현지명: 2-이소프로폭시아닐린
영어명: 2-isopropoxyaniline
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

2-Isopropoxyaniline29026-74-2Benzenamine, 2-(1-methylethoxy)-o-Isopropoxyaniline2-(1-Methylethoxy)benzenamineOrtho-isopropoxyaniline8M3MFC22JXDTXSID20183268RefChem:87718DTXCID30105759249-377-52-(propan-2-yloxy)aniline

이름 더 보기

2-이소프로폭시아닐린ANILINE, o-ISOPROPOXY-2-(1-Methylethoxy)anilineo-Izopropoksyanilina [Polish](2-isopropoxyphenyl)amine sulfate(2-isopropoxyphenyl)amine(SALTDATA: HCl)

2-Isopropoxy-phenylamine2-propan-2-yloxyanilineo-IpaMFCD00242947o-Izopropoksyanilina2-isopropoxyaniline sulfate2-(methylethoxy)phenylamine0-isopropoxyaniline

데이터베이스 식별자

CAS: 29026-74-2
PubChem CID: 34436
DTXSID: DTXSID20183268
UNII: 8M3MFC22JX
EC Number: 249-377-5
Nikkaji: J286.504A

물성

구조 계산 물성

XLogP: 2
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 114

물리화학적 성질

녹는점: 139 · 139-141℃
끓는 점: 273.23 °C · 273.23°C (rough estimate)
밀도: 1.0406 · 1.0406 (rough estimate)
굴절률: 1.538 · 1.5380 (estimate)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: solid
산도 계수 (pKa): 5.17 · 5.17±0.10(Predicted)
InChI: 1S/C9H13NO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3
InChIKey: PZOZYLSYQJYXBI-UHFFFAOYSA-N
SMILES: CC(C)Oc1ccccc1N

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]；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, 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 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.