CAS 84803-56-5 4-(2-Methoxyethyl)aniline (HCID 3020135)

기본 정보

CAS: 84803-56-5
표준 SMILES: COCCc1ccc(N)cc1
InChIKey: LGBFKALRQPQBJJ-UHFFFAOYSA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

이름 및 식별자

우선 이름: 4-(2-Methoxyethyl)aniline
IUPAC: 4-(2-methoxyethyl)aniline
현지명: 4-(2-메톡시에틸)아닐린
영어명: 4-(2-methoxyethyl)aniline
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

4-(2-Methoxyethyl)aniline84803-56-5EINECS 284-182-9DTXSID90233845RefChem:512585DTXCID20156336284-182-94-(2-methoxy-ethyl)-phenylamine4-(2-Methoxyethyl)benzenamine; p-2-Methoxyethyl-Aniline; 1-Methoxy-2-(4-aminophenyl)ethane; 4-(2-Methoxyethyl)phenylamine; p-(2-Methoxyethyl)aniline;4-methoxyethylanilineSCHEMBL5659Metoprolol Process Impurity 4

이름 더 보기

4-(2-메톡시에틸)아닐린Metoprolol Impurity 194-(2-Methoxyethyl)benzenamineBenzenamine, 4-(2-methoxyethyl)-

[4-(2-methoxy ethyl)phenyl]amineJDA80356MFCD09740464AKOS000145900SB76179CS-0251153NS00038660EN300-53778

데이터베이스 식별자

CAS: 84803-56-5
PubChem CID: 3020135
DTXSID: DTXSID90233845
EC Number: 284-182-9
Nikkaji: J309.455C

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 97

물리화학적 성질

끓는 점: 111 · 111-114 °C(Press: 8 Torr)
밀도: 1.025 · 1.025±0.06 g/cm3(Predicted)
저장 조건: Hygroscopic, Refrigerator, under inert atmosphere
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 4.77 · 4.77±0.10(Predicted)
색상: 옅은 빨간색에서 밝은 빨간색까지

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.