4-Aminoindole (HCID 583431)

이름 및 식별자

우선 이름: 4-Aminoindole
IUPAC: 1H-indol-4-amine
영어명: 4-Aminoindole
분자식: C8H8N2
분자량: 132.16

이름 및 동의어

4-Aminoindole5192-23-4DTXSID50342629RefChem:518239DTXCID10293709621-202-01H-Indol-4-amine1H-Indol-4-ylamineMFCD010765594-aminoindolindol-4-ylamine4-amino-1H-indol

이름 더 보기

4-INDOLAMINE4-AiminoindoleINDOLE-4-AMINE4-AMinoindole 97%(Indol-4-yl)amine4-Aminoindole >4-Aminoindole ,97%

4-amino-1h-indole1H-indol-4-yl-amineSCHEMBL113992indole-4-ylamineGEO-00149AKOS005206886A35742P-050

데이터베이스 식별자

CAS: 5192-23-4
PubChem CID: 583431
DTXSID: DTXSID50342629
ChEBI: CHEBI:183733
EC Number: 621-202-0
Nikkaji: J80.973J

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 41.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 124

물리화학적 성질

녹는점: 106 · 106-109 °C (lit.)
끓는 점: 354 · 354.0±15.0 °C(Predicted)
밀도: 1.268 · 1.268±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 18.23 · 18.23±0.30(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 회색, 갈색까지
수용성: 불용성
BRN: 114919 · 114919
InChI: InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2
InChIKey: LUNUNJFSHKSXGQ-UHFFFAOYSA-N
SMILES: N1C2=C(C(N)=CC=C2)C=C1

화학적 성질

Greenish-grey to tan powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesAcute Tox. 4 (18.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29339990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
위험 등급: AIR SENSITIVE, IRRITANT-HARMFUL, KEEP COLD
F 고인화성물질: 8-10-34
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Aminoindole may be used to synthesize:macrolactam tumour promoter indolactam Vtricyclic structure of 2-substituted-pyrrolo[2,3-h]quinolin-4-one4-azidoindole

일반 설명4-Aminoindole is an indole derivative. Its cytokinin activity has been assessed by tobacco pith callus bioassay. 4-Aminoindole can be prepared by reacting 2,6-dinitrotoluene and N,N-dimethylformamide dimethylacetal in anhydrous DMF.