CAS 166943-39-1 N-methyl-4-nitrophenethylamine hydrochloride (HCID 16218354)

기본 정보

CAS: 166943-39-1
표준 SMILES: CNCCc1ccc([N+](=O)[O-])cc1.Cl
InChIKey: VGJDSNZOPPZCTB-UHFFFAOYSA-N
분자식: C9H13ClN2O2
평균 분자량: 216.66 g/mol
단동위원소 질량: 216.0665554

이름 및 식별자

우선 이름: N-methyl-4-nitrophenethylamine hydrochloride
IUPAC: N-methyl-2-(4-nitrophenyl)ethanamine;hydrochloride
영어명: N-Methyl-4-nitrophenethylamine hydrochloride
분자식: C9H13ClN2O2
분자량: 216.66

이름 및 동의어

N-Methyl-4-nitrophenethylamine hydrochlorideBenzeneethanamine, N-methyl-4-nitro-, hydrochloride (1:1)RefChem:830479425-800-0166943-39-1N-methyl-2-(4-nitrophenyl)ethanamine hydrochlorideN-Methyl-2-(4-nitrophenyl)ethylamine hydrochlorideMFCD00674535N-Methyl-[2-(4-nitro-phenyl)-ethyl]-amine hydrochlorideN-methyl-2-(4-nitrophenyl)ethanamine;hydrochloridemethyl[2-(4-nitrophenyl)ethyl]amine hydrochlorideN-(4-Nitrophenethyl)-N-methylamine Hydrochloride

이름 더 보기

AURORA KA-7763N-Methyl-4-NitrophenylethylamineN-Methyl-4-nitrophenethylamine, HClN-Methyl-4-NitrophenylethylaMine HClN-methyl-4-nitrophenyleethylamine HClMETHYL-[2-(4-NITRO-PHENYL)-ETHYL]-AMINEN-METHYL-[2-(4-NITRO-PHENYL)-ETHYL]-AMINEN-Methyl-N-[2-(4-Nitrophenyl)ethyl]amine.HClN-methyl-4-nitrophenylethylamine hydrochloride

N-METHYL-4-NITROPHENETHYLAMINE HCLMethyl-[2-(4-nitro-phenyl)-ethyl]-amine hydrochlorideSCHEMBL3922824Benzeneethanamine, N-methyl-4-nitro-, monohydrochlorideDTXSID40584899STR04958AKOS015888237CS-W013164

데이터베이스 식별자

CAS: 166943-39-1
PubChem CID: 16218354
DTXSID: DTXSID40584899
EC Number: 425-800-0

물성

구조 계산 물성

극성 표면적: 57.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 222 · 222-227 °C
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO및메탄올에 용해됨
물리적 상태: 고체
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C9H12N2O2.ClH/c1-10-7-6-8-2-4-9(5-3-8)11(12)13;/h2-5,10H,6-7H2,1H3;1H
InChIKey: VGJDSNZOPPZCTB-UHFFFAOYSA-N
SMILES: C1C=C(CCNC)C=CC=1[N+]([O-])=O.Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 29 reports by companies from 1 notifications to the ECHA C&L Inventory.；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

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9949

Hazard Classes and CategoriesSkin Sens. 1 (100%)

규제 정보

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9949

안전 데이터

wgk: 3
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도N-Methyl-2-(4-nitrophenyl)ethanamine Hydrochloride is used as a reactant in the preparation of small molecule CDC25 phosphatases inhibitors.

공급사100 곳

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]

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