2-아미노벤질 알코올

2-Aminobenzyl alcohol

HCID 21439CAS 5344-90-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Nc1ccccc1CO
InChIKey
VYFOAVADNIHPTR-UHFFFAOYSA-N
분자식
C7H9NO
평균 분자량
123.15 g/mol
단동위원소 질량
123.06841391

개요

2-Aminobenzyl alcohol has been reported in Justicia gendarussa with data available.

이름 및 식별자

우선 이름
2-Aminobenzyl alcohol
IUPAC
(2-aminophenyl)methanol
현지명
2-아미노벤질 알코올
영어명
2-Aminobenzyl alcohol
분자식
C7H9NO
분자량
123.15

이름 및 동의어

2-Aminobenzyl alcohol5344-90-1(2-Aminophenyl)methanol2-Aminobenzenemethanolo-Aminobenzyl alcoholBenzenemethanol, 2-amino-o-(Hydroxymethyl)anilineo-Aminobenzylic alcohol2-HydroxymethylanilineJK3AH3NG9CNSC-1173DTXSID6063800
이름 더 보기
2-아미노벤질알코올2-아미노벤질알코올oABAIc2-AminobenzyLO-ACETAMINOPHENOLRARECHEM AQ BD 0001Ambroxol Impurity 53o-amino-benzylalcohoMianserin impurity CO-AMINOPHENYLCARBINOL
RefChem:85369DTXCID0041436226-293-72-aminobenzylalcoholBENZYL ALCOHOL, o-AMINO-MFCD00007749O-AMINO-BENZYLALCOHOLNSC 1173

데이터베이스 식별자

CAS
5344-90-1
PubChem CID
21439
DTXSID
DTXSID6063800
ChEMBL
CHEMBL1235999
UNII
JK3AH3NG9C
EC Number
226-293-7
Nikkaji
J55.475H

물성

구조 계산 물성

XLogP
1.1
극성 표면적
46.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionOff-white crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
81 · 81-83 °C(lit.)
끓는 점
162 °C15 · 162 °C15 mm Hg(lit.)
밀도
1.0877 · 1.0877 (rough estimate)
굴절률
1.4905 · 1.4905
인화점
160 °C/10mm · 160°C/10mm
저장 조건
Keep in dark place,Inert atmosphere,Room temperature

화학적 성질

white to light yellow crystal powder.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (36.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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 76 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenemethanol, 2-amino-

Status: Active Update: 11-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20017

Benzenemethanol, 2-amino-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 2-Aminophenol.
Hazard Classes and CategoriesAcute Tox. 4 (36.8%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DN3155000
HS 번호
29221980
risk_code
36/37/38-20/21/22
hazard_code
Xi,Xn

화학 및 산업

약리 정보

Metabolism/Metabolites2-aminobenzylalcohol has known human metabolites that include (2-aminophenyl)methyl hydrogen sulfate.

용도 및 제조

General Manufacturing InformationBenzenemethanol, 2-amino-: INACTIVE
응용 분야 · 2건

용도2-Aminobenzyl alcohol was used in the synthesis of ethyl 2-hydroxymethylcarbanilate.

일반 설명2-Aminobenzyl alcohol is oxidatively cyclised with an array of ketones in dioxane at 80°C in the presence of a ruthenium catalyst and KOH to give corresponding quinolines. It undergoes oxidation catalyzed by heterotrimetallic RuMnMn species on the hydrotalcite surface in the presence of O2 to yield 2-aminobenzaldehyde.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
安徽省大利生物科技有限责任公司15705632007
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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