5-메톡시그라민

5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine

HCID 27965CAS 16620-52-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1ccc2[nH]cc(CN(C)C)c2c1
InChIKey
GOERTRUXQHDLHC-UHFFFAOYSA-N
분자식
C12H16N2O
평균 분자량
204.27 g/mol
단동위원소 질량
204.12626313

개요

5-Methoxygramine has been reported in Phalaris aquatica with data available.

이름 및 식별자

우선 이름
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
IUPAC
1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
현지명
5-메톡시그라민
영어명
5-Methoxygramine
분자식
C12H16N2O
분자량
204.27

이름 및 동의어

5-Methoxygramine16620-52-31-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamineMethoxygramine1H-Indole-3-methanamine, 5-methoxy-N,N-dimethyl-J6ZN008RY8INDOLE, 3-((DIMETHYLAMINO)METHYL)-5-METHOXY-5-METHOXY-N,N-DIMETHYL-1H-INDOLE-3-METHANAMINENSC-88885DTXSID30168081Indole, 3-[(dimethylamino)methyl]-5-methoxy-RefChem:536729
이름 더 보기
5-메톡시그라민5-methoxy-3-(dimethylaminomethyl)indoleNSC 88885TIMTEC-BB SBB0035095-METHOXYGRAMINE 99%5-Methoxygramine,99%3-ETHYL-1H-PYRAZOL-5-AMINE HCL2-dimethylaminomethyl-5-methoxyindole3-(DIMETHYLAMINOMETHYL)-5-METHOXY-INDOLE
DTXCID2090572240-669-83-Dimethylaminomethyl-5-methoxyindole[(5-methoxy-1H-indol-3-yl)methyl]dimethylamineMFCD000056303-(Dimethylaminomethyl)-5-methoxyindoleN-[(5-Methoxy-1H-indol-3-yl)methyl]-N,N-dimethylamine1-(5-Methoxy-1h-Indol-3-Yl)-N,N-Dimethyl-Methanamine

데이터베이스 식별자

CAS
16620-52-3
PubChem CID
27965
DTXSID
DTXSID30168081
ChEMBL
CHEMBL3769622
UNII
J6ZN008RY8
EC Number
240-669-8
Nikkaji
J15.685J

물성

구조 계산 물성

XLogP
1.9
극성 표면적
28.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
15

물리화학적 성질

녹는점
123 · 123-126 °C (lit.)
끓는 점
342.77 °C · 342.77°C (rough estimate)
밀도
1.0565 · 1.0565 (rough estimate)
굴절률
1.6 · 1.6000 (estimate)
저장 조건
Refrigerator (+4°C)
산도 계수 (pKa)
16.7 · 16.70±0.30(Predicted)

화학적 성질

white to almost white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
rtecs
NL7700000
독성
mouse,LD50,intraperitoneal,130mg/kg (130mg/kg),Psychopharmacologia Vol. 16, Pg. 385, 1970.
HS 번호
29339900
risk_code
34-22
hazard_code
C,Xi

화학 및 산업

응용 분야 · 1건

용도• ;Reactant for preparation of dopamine D2 receptor antagonists1• ;Reactant for asymmetric preparation of ethenyl(tetrahydro)carbazoledicarboxylates via gold(I)-catalyzed intramolecular Friedel-Crafts allylic alkylation reaction2• ;Reactant for preparation of N-substituted 3-aryl-8-azabicyclo[3.2.1]octan-3-ols as dopamine D2-like receptor ligands3• ;Reactant for preparation of substituted N-trimethoxybenzoyl indoles, indolines, and a tetrahydroquinoline via N-aroylation with trimethoxybenzoyl chloride or anhydride as antitubulin agents4• ;Reactant for preparation of in

상·하류 제품 정보

공급사30 곳

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陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
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