4-chloro-1-(3,5-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine

HCID 4962119CAS 885524-15-2

기본 정보

표준 SMILES: Cc1cc(C)cc(-n2ncc3c(Cl)ncnc32)c1
InChIKey: IFYKTCBGIXRDLX-UHFFFAOYSA-N
분자식: C13H11ClN4
평균 분자량: 258.7 g/mol

이름 및 식별자

우선 이름: 4-chloro-1-(3,5-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
IUPAC: 4-chloro-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidine
영어명: 4-Chloro-1-(3,5-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
분자식: C13H11ClN4
분자량: 258.71

이름 및 동의어

4-chloro-1-(3,5-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine885524-15-24-chloro-1-(3,5-dimethylphenyl)-1H-pyrazolo(3,4-d)pyrimidineRefChem:520737987-513-1MFCD066608334-chloro-1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidineSCHEMBL3425282IFYKTCBGIXRDLX-UHFFFAOYSA-NKKB52415AKOS000122816CS-0232825

이름 더 보기

1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-(3,5-dimethylphenyl)-

EN300-12896F2129-0010Z1199904544-chloro-1-(3,5-dimethyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidine

데이터베이스 식별자

CAS: 885524-15-2
PubChem CID: 4962119
EC Number: 987-513-1

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 43.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 291

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.