1-메틸-1H-인다졸-5-아민

1-methyl-1H-indazol-5-amine

HCID 2768032CAS 50593-24-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1ncc2cc(N)ccc21
InChIKey: PYOFNPHTKBSXOM-UHFFFAOYSA-N
분자식: C8H9N3
평균 분자량: 147.18 g/mol
단동위원소 질량: 147.07964729

이름 및 식별자

우선 이름: 1-methyl-1H-indazol-5-amine
IUPAC: 1-methylindazol-5-amine
현지명: 1-메틸-1H-인다졸-5-아민
영어명: 1-Methyl-1H-indazol-5-amine
분자식: C8H9N3
분자량: 147.18

이름 및 동의어

1-METHYL-1H-INDAZOL-5-AMINE50593-24-3DTXSID70377635RefChem:231490DTXCID30328663806-999-75-Amino-1-methyl-1H-indazole1-Methyl-1H-indazol-5-ylamine1-methylindazol-5-amineMFCD033054555-AMINO-1-METHYLINDAZOLECHEMBL1650263

이름 더 보기

1-메틸-1H-인다졸-5-아민1-methyl-5-indazolamine1-Methyl-5-amino-1H-indazole1-methyl-1H-indazole-5-amine5-AMino-1-Methyl-1H-indaz...

1H-INDAZOL-5-AMINE, 1-METHYL-1-methyl-5-aminoindazol1-methyl-5-aminoindazole5-amino-1-methyl-indazole1-methyl-indazol-5-ylamineSCHEMBL378619orb3181671SCHEMBL30006507

데이터베이스 식별자

CAS: 50593-24-3
PubChem CID: 2768032
DTXSID: DTXSID70377635
ChEMBL: CHEMBL1650263
EC Number: 806-999-7
Nikkaji: J661.384E

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 148

물리화학적 성질

녹는점: 142 · 142-144°C
끓는 점: 321.6 · 321.6±15.0 °C(Predicted)
밀도: 1.27 · 1.27±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 3.85 · 3.85±0.10(Predicted)
색상: 갈색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 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 CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 29339980
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도1-Methyl-5-amino-1H-indazole is used in preparation of Hydrazone compounds having (Hetero)aryl group at terminal Amine group for treating tau protein-associated disease. Also, used in preparation of Dihydroisoindole-1H-pyrazolo[3,4-d]pyrimidinone compounds as Wee1 inhibitors for treatment of kinase-related diseases.