2-(2-아미노페닐)인돌

2-(2-Aminophenyl)indole

HCID 735966CAS 32566-01-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccccc1-c1cc2ccccc2[nH]1
InChIKey: IAKRGXQCKYFJCB-UHFFFAOYSA-N
분자식: C14H12N2
평균 분자량: 208.26 g/mol
단동위원소 질량: 208.10004838

이름 및 식별자

우선 이름: 2-(2-Aminophenyl)indole
IUPAC: 2-(1H-indol-2-yl)aniline
현지명: 2-(2-아미노페닐)인돌
영어명: 2-(1H-Indol-2-yl)aniline
분자식: C14H12N2
분자량: 208.26

이름 및 동의어

2-(2-Aminophenyl)indole32566-01-1DTXSID20352891RefChem:453318DTXCID30303955624-293-52-(1H-indol-2-yl)aniline2-(2'-Aminophenyl)indoleMFCD00134432Benzenamine, 2-(1H-indol-2-yl)-2-(2-aminophenyl)-1H-indole2-(1H-indol-2-yl)-Benzenamine

이름 더 보기

2-(2-아미노페닐)인돌2-(2-Aminophenyl)indole 97%

2-indol-2-ylphenylamine2-(2-Aminophenyl)-indol2-(2-Aminophenyl) indole2-(2-aminophenyl)benzazoleOprea1_625920BIDD:GT0091SCHEMBL221259SCHEMBL6161663

데이터베이스 식별자

CAS: 32566-01-1
PubChem CID: 735966
DTXSID: DTXSID20352891
ChEMBL: CHEMBL4559479
EC Number: 624-293-5
Nikkaji: J1.338.861J

물성

구조 계산 물성

XLogP: 3
극성 표면적: 41.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 241

물리화학적 성질

녹는점: 154 · 154-155 °C(lit.)
끓는 점: 437.9 · 437.9±20.0 °C(Predicted)
밀도: 1.229 · 1.229±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 16.53 · 16.53±0.30(Predicted)
InChI: 1S/C14H12N2/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-9,16H,15H2
InChIKey: IAKRGXQCKYFJCB-UHFFFAOYSA-N
SMILES: Nc1ccccc1-c2cc3ccccc3[nH]2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Reactant in:cascade reactions of benzopyranylidenemalonates with mono- and dinucleophilesReactant for preparation of:Mono-, bis-indolo[1,2-c]quinazolines as antimicrobial agentsIsocryptolepine alkaloid with antimalarial activityCyanoindolo[3,2-c]quinolines and benzimidazo[1,2-c]quinazolines as antitumor agents

일반 설명2-(2-Aminophenyl)indole is an indole derivative. It has been reported as an amination reagent. 2-(2-Aminophenyl)indole undergoes condensation with 4,5-dichloro-1,2,3-dithiazolium chloride (Appel salt) to afford new 6-cyanoindolo[3,2-c]quinoline derivatives, having pharmacological applications.