5-아미노인돌

5-Aminoindole

HCID 78867CAS 5192-03-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc2[nH]ccc2c1
InChIKey: ZCBIFHNDZBSCEP-UHFFFAOYSA-N
분자식: C8H8N2
평균 분자량: 132.16 g/mol
단동위원소 질량: 132.06874826

개요

1H-indol-5-amine is an indolamine carrying an amino group at position 5.

이름 및 식별자

우선 이름: 5-Aminoindole
IUPAC: 1H-indol-5-amine
현지명: 5-아미노인돌
영어명: 5-Aminoindole
분자식: C8H8N2
분자량: 132.16

이름 및 동의어

5-Aminoindole1H-Indol-5-amine5192-03-0Q732PG0Y16NSC-61452DTXSID5063734CHEBI:33067RefChem:101993DTXCID4041103225-977-2Indol-5-ylamineIndole, 5-amino-

이름 더 보기

5-아미노인돌indolin-5-amineNSC 61452AKOS 911485-INDOLYLAMINEINDOLE-5-AMINE

MFCD000056791H-indol-5-ylamine5-AMINO-1H-INDOLEindole-5-ylamine5-Indolamine5 -aminoindole5-amino indole5-amino-indole

데이터베이스 식별자

CAS: 5192-03-0
PubChem CID: 78867
DTXSID: DTXSID5063734
ChEMBL: CHEMBL325916
ChEBI: CHEBI:33067
UNII: Q732PG0Y16
EC Number: 225-977-2
Nikkaji: J80.971C

물성

구조 계산 물성

XLogP: 0.7
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

실험 및 물리화학적 성질

LogP1.13

물리화학적 성질

녹는점: 131 · 131-133 °C (dec.) (lit.)
끓는 점: 190 °C · 190 °C / 6mmHg
밀도: 1.1083 · 1.1083 (rough estimate)
굴절률: 1.6013 · 1.6013 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO및메탄올에 용해됨
산도 계수 (pKa): 17.39 · 17.39±0.30(Predicted)
물리적 상태: 결정성 분말
색상: 회백색에서 회갈색까지
수용성: 불용성
BRN: 112348 · 112348
InChI: 1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2
InChIKey: ZCBIFHNDZBSCEP-UHFFFAOYSA-N
SMILES: Nc1ccc2[nH]ccc2c1
NIST: 5 · 5-Aminoindole(5192-03-0)
EPA: 5 · 5-Aminoindole (5192-03-0)

화학적 성질

Grey Crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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 96 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1H-Indol-5-amine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29339990
risk_code: 22-36/37/38-68
hazard_code: Xn,Xi
safety_code: 26-45-36/37
위험 등급: AIR SENSITIVE, IRRITANT-HARMFUL, KEEP COLD
F 고인화성물질: 10
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Eye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Indol-5-amine: INACTIVE

응용 분야 · 1건

용도Reactant for preparation of:Smac mimetics that bind to the BIR2 domain of the anti-apoptotic protein XIAPCytotoxic and antimitotic agentsInsulin-like growth factor 1 receptor inhibitorsAntitumoral agentsFactor Xa inhibitorPotential antivascular agentsGli1-mediated transcription in the Hedgehog pathwayInhibitors of receptor tyrosine kinase with antiangiogenic effectsPKCθ inhibitorsHIV protease inhibitors