2-[Benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone

HCID 178746520
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기본 정보

CAS
1330172-65-0
표준 SMILES
CN(CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1
InChIKey
LVERDXLUFRHUKR-UHFFFAOYSA-N
분자식
C16H17NO3
평균 분자량
271.31 g/mol

이름 및 식별자

우선 이름
2-[Benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
IUPAC
2-[benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
영어명
2-(BenzylMethylaMino)-3',4'-dihydroxyacetophenone-d3
분자식
C16H17NO3
분자량
271.31108

이름 및 동의어

2-[BENZYL(METHYL)AMINO]-1-(3,4-DIHYDROXYPHENYL)ETHANONE2-(Benzyl(methyl)amino)-1-(3,4-dihydroxyphenyl)ethanoneRefChem:459713814-489-036467-25-12-(Benzylmethylamino)-3',4'-dihydroxyacetophenoneM7UW1YUN32Adrenaline EP Impurity E1-(3,4-Dihydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethanoneUNII-M7UW1YUN32Adrenaline impurity E [EP]MFCD18379199
이름 더 보기
α-BenzylMethylaMino-3,4-dihydroxyacetophenone-d32-(Benzylmethylamino)-3',4'-dihydroxyacetophenone-d32-(Benzylmethylamino)-3',4'-dihydroxyacetophenone-d31-(3,4-Dihydroxyphenyl)-2-[Methyl(phenylMethyl)aMino]ethanone-d3
Acetophenone, 2-(benzylmethylamino)-3',4'-dihydroxy-2-[Benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethan-1-one1-(3,4-Dihydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone2-(benzyl(methyl)amino)-1-(3,4-dihydroxyphenyl)ethan-1-oneAcetophenone, 2-(benzylmethylamino)-3',4'-dihydroxy- (6CI); 1-(3,4-Dihydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethanone; a-Benzylmethylamino-3,4-dihydroxyacetophenone; 2-(Benzylmethylamino)-1-(3,4-dihydroxyphenyl)ethanone; Adrenaline Tartrate Imp. E (EP)N-BENZYL ADRENALONESCHEMBL4322968SCHEMBL30423344

데이터베이스 식별자

CAS
1330172-65-0
UNII
M7UW1YUN32
EC Number
814-489-0

물성

구조 계산 물성

XLogP
2.5
극성 표면적
60.8 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
20

물리화학적 성질

용해도
메탄올에 용해됨

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Danger

H301+H331 (33.3%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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

유해성 정보

Regulatory InformationStatus: Active Update: 16-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30234
Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

화학 및 산업

응용 분야

용도Labelled ephedrine intermediate.

공급사3 곳

凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]

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