3,4-메틸렌디옥시에틸암페타민염산염,MDE염산염,MDE-HCl,MDEA염산염
MDE hydrochloride
기본 정보
- CAS
74341-78-9- 표준 SMILES
CCNC(C)Cc1ccc2c(c1)OCO2.Cl- InChIKey
IBDIPBWIXJRJQM-UHFFFAOYSA-N- 분자식
- C12H18ClNO2
- 평균 분자량
- 243.73 g/mol
- 단동위원소 질량
- 243.1026065
이름 및 식별자
- 우선 이름
- MDE hydrochloride
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride
- 현지명
- 3,4-메틸렌디옥시에틸암페타민염산염,MDE염산염,MDE-HCl,MDEA염산염
- 영어명
- 3,4-Methylenedioxyethylamphetamine hydrochloride
- 분자식
- C12H18ClNO2
- 분자량
- 243.72982
이름 및 동의어
MDE hydrochlorideN-Ethyl-alpha-methyl-1,3-benzodioxole-5-ethanamine hydrochlorideMDEA hydrochlorideMDE HClDTXSID0048892UNII-F5C0YRV9E3F5C0YRV9E33,4-Methylenedioxyethylamphetamine hydrochloridemethylenedioxyethamphetamine hydrochlorideMDE HYDROCHLORIDE [MI]DTXCID60288181,3-Benzodioxole-5-ethanamine, N-ethyl-alpha-methyl-, hydrochloride
이름 더 보기
3,4-메틸렌디옥시에틸암페타민염산염,MDE염산염,MDE-HCl,MDEA염산염MDE-HClN-Ethyl-α-Methyl-(±)-MDEA hydrochloride3,4-MDEA (hydrochloride)IBDIPBWIXJRJQM-UHFFFAOYSA-N3,4-MDEA (hydrochloride) (CRM)3,4-MDEA (hydrochloride) (exempt preparation)d,l-MDEA.HCl, 1mg/ml in Methanol (as free base)MDEA hydrochloride, N-Ethyl-3,4-MDA hydrochloride
1,3-BENZODIOXOLE-5-ETHANAMINE, N-ETHYL-.ALPHA.-METHYL-, HYDROCHLORIDE (1:1)RefChem:2016001,3-benzodioxole-5-ethanamine, N-ethyl-alpha-methyl-, hydrochloride (1:1)74341-78-9116261-63-3d,l-MDEA.HCl1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride(+/-)-Mdea-d5 hydrochloride (ethyl-d5)
데이터베이스 식별자
- CAS
74341-78-9- PubChem CID
- 3057998
- DTXSID
DTXSID0048892- ChEMBL
CHEMBL3187218- UNII
- F5C0YRV9E3
- EC Number
- 690-036-9
물성
구조 계산 물성
- 극성 표면적
- 30.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 198
물리화학적 성질
- 녹는점
- 197 · 197-198° (Noggle); mp 201-202° (Braun)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 10 mg/ml; Ethanol: 0.3 mg/ml; PBS (pH 7.2): 5 mg/ml
- 물리적 상태
- A neat solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (95%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (95%)
안전 데이터
- wgk
- 2
- rtecs
- DF4914530
- 독성
- LD50 i.p. in mice: 102 mg/kg (Noggle)
- risk_code
- 22-36/37/38-39/23/24/25-23/24/25-11
- hazard_code
- Xn,T,F
- safety_code
- 26-36/37/39-45-36/37-16-7
화학 및 산업
응용 분야
개요3,4-MDEA (hydrochloride) (CRM) (Item No. ISO60196) is a certified reference material catagorized as an amphetamine. 3,4-MDEA (hydrochloride) (CRM) (Item No. ISO60196) is provided as a DEA exempt preparation. This product is intended for research and forensic applications.
용도3,4-Methylenedioxyethylamphetamine hydrochloride is a homologue of MDMA, a potential drugs of abuse. A component in Ecstasy street tablets. Controlled substance (hallucinogen).
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