2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile

HCID 44512896

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1029714-87-1
표준 SMILES: N#Cc1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIKey: DCHLMGJQDKHZLO-UHFFFAOYSA-N
분자식: C22H13FN6
평균 분자량: 380.4 g/mol
단동위원소 질량: 380.1185726

이름 및 식별자

우선 이름: 2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile
IUPAC: 2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile
영어명: 2-fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzonitrile
분자식: C22H13FN6
분자량: 380.38

이름 및 동의어

2-Fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzonitrile2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile2-Fluoro-4-(7-(quinolin-6-ylmethyl)imidazo(1,2-b)(1,2,4)triazin-2-yl)benzonitrileRefChem:472308812-406-21029714-87-1Benzonitrile, 2-fluoro-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-JZ89E357LDSCHEMBL1697118DCHLMGJQDKHZLO-UHFFFAOYSA-NDTXSID001035662DB-182156

이름 더 보기

2-Fluoro-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzo-nitrile

데이터베이스 식별자

CAS: 1029714-87-1
PubChem CID: 44512896
DTXSID: DTXSID001035662
UNII: JZ89E357LD
EC Number: 812-406-2

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 79.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 29
형식 전하: 0
복잡도: 622

물리화학적 성질

증기압: 0.002 · 0.002-0.007Pa at 20-25℃
LogP: 2.9 at · 2.9 at 20℃ and pH7

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.