3-메틸시놀린-5-아민

3-Methylcinnolin-5-amine

HCID 5310645CAS 300690-74-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc2c(N)cccc2nn1
InChIKey: HOJQDQQMHMVETF-UHFFFAOYSA-N
분자식: C9H9N3
평균 분자량: 159.19 g/mol
단동위원소 질량: 159.0796473

이름 및 식별자

우선 이름: 3-Methylcinnolin-5-amine
IUPAC: 3-methylcinnolin-5-amine
현지명: 3-메틸시놀린-5-아민
영어명: 3-Methylcinnolin-5-amine
분자식: C9H9N3
분자량: 159.19

이름 및 동의어

3-methylcinnolin-5-amine300690-74-8DTXSID70415485RefChem:281084DTXCID003663355-Cinnolinamine, 3-methyl-5-Amino-3-methylcinnoline3-methyl-5-cinnolinamineMFCD00466524MLS0001051933-Methyl-cinnolin-5-ylamineSMR000055122

이름 더 보기

3-메틸시놀린-5-아민cinnoLin-5-amineCHEMBRDG-BB 52564043-methylcinnolin-5-amine(SALTDATA: FREE)[(5-Aminopentyl)oxy](tert-butyl)dimethylsilane[(5-Aminopentyl)oxy](tert-butyl)dimethylsilane - [A8909]

3-methylcinnoline-5-ylamineA1KEVMaybridge1_006688Cambridge id 5256404Oprea1_164420Oprea1_165495(3-methylcinnolin-5-yl)amineorb3029819

데이터베이스 식별자

CAS: 300690-74-8
PubChem CID: 5310645
DTXSID: DTXSID70415485
ChEMBL: CHEMBL1523317
EC Number: 803-544-4

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 189 · 189-191°C
끓는 점: 361.6 · 361.6±34.0 °C(Predicted)
밀도: 1.238 · 1.238±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.45 · 3.45±0.10(Predicted)
물리적 상태: 고체
색상: 매우 진한 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 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.