3-[(메틸아미노)메틸]페놀

3-((Methylamino)methyl)phenol

HCID 10486905
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
123926-62-5
표준 SMILES
CNCc1cccc(O)c1
InChIKey
JVUOJMODQRWSRP-UHFFFAOYSA-N
분자식
C8H11NO
평균 분자량
137.18 g/mol
단동위원소 질량
137.08406397

이름 및 식별자

우선 이름
3-((Methylamino)methyl)phenol
IUPAC
3-(methylaminomethyl)phenol
현지명
3-[(메틸아미노)메틸]페놀
영어명
3-[(methylamino)methyl]phenol
분자식
C8H11NO
분자량
137.18

이름 및 동의어

3-[(methylamino)methyl]phenol123926-62-53-((Methylamino)methyl)phenolDTXSID80440622RefChem:273036DTXCID40391444846-026-33-(methylaminomethyl)phenolPhenol, 3-[(methylamino)methyl]-MFCD097335713-[(Methylamino)methyl]-phenolALBB-004075
이름 더 보기
3-[(메틸아미노)메틸]페놀3-[(methylamino)methyl]phenol(SALTDATA: FREE)
N-methyl-3-hydroxybenzylamineSCHEMBL1488012SCHEMBL1488015SCHEMBL9978260CHEMBL4575500JVUOJMODQRWSRP-UHFFFAOYSA-NSBB046532AKOS000139794

데이터베이스 식별자

CAS
123926-62-5
PubChem CID
10486905
DTXSID
DTXSID80440622
ChEMBL
CHEMBL4575500
EC Number
846-026-3

물성

구조 계산 물성

XLogP
0.7
극성 표면적
32.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
10

물리화학적 성질

녹는점
157 · 157-159 °C
끓는 점
244.5 · 244.5±15.0 °C(Predicted)
밀도
1.059 · 1.059±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C, protect from light, stored under nitrogen
산도 계수 (pKa)
9.44 · 9.44±0.10(Predicted)

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호
2922290090
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도3-[(Methylamino)methyl]phenol is used to prepare arylbenzofuran-based molecules as multipotent Alzheimer’s disease modifying agents.

상·하류 제품 정보

공급사28 곳

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]

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