2H-1-Benzopyran-2-one, 7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-

HCID 79650CAS 5516-22-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCN(CC)c1nc(Cl)nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)n1
InChIKey
RWZSFMOHCSPTDM-UHFFFAOYSA-N
분자식
C22H20ClN5O2
평균 분자량
421.9 g/mol
단동위원소 질량
421.13055256

이름 및 식별자

우선 이름
2H-1-Benzopyran-2-one, 7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-
IUPAC
7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one
영어명
7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-2-benzopyrone
분자식
C22H20ClN5O2
분자량
421.8795

이름 및 동의어

2H-1-Benzopyran-2-one, 7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-2-(3-Phenylcoumarin-7-ylamino)-4-chloro-6-diethylamino-s-triazineEINECS 226-861-4NSC 338963DTXSID50639402H-1-Benzopyran-2-one, 7-((4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl)amino)-3-phenyl-RefChem:484147DTXCID60418445516-22-37-{[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino}-3-phenyl-2h-chromen-2-oneNSC338963MLS000758535
이름 더 보기
7-amino>-3-phenylcoumarin7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-2-benzopyrone2-(3-Phenyl-2-oxo-2H-1-benzopyran-7-ylamino)-4-chloro-6-diethylamino-1,3,5-triazine7-[[4-Chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-2H-1-benzopyran-2-one
NSC-338963Coumarin, 7-((4-chloro-6-(diethylamino)-s-triazin-2-yl)amino)-3-phenyl-Coumarin, 7-[[4-chloro-6-(diethylamino)-s-triazin-2-yl]amino]-3-phenyl-TINOPAL SFGHAKKOL PYB-DSCHEMBL194079X89V4CV52RSCHEMBL29999754

데이터베이스 식별자

CAS
5516-22-3
PubChem CID
79650
DTXSID
DTXSID5063940
UNII
X89V4CV52R
EC Number
226-861-4
Nikkaji
J60.860B

물성

구조 계산 물성

XLogP
5.6
극성 표면적
80.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
30

물리화학적 성질

녹는점
199 · 199-200 °C
끓는 점
641.8 · 641.8±65.0 °C(Predicted)
밀도
1.37 · 1.370±0.06 g/cm3(Predicted)
산도 계수 (pKa)
1.74 · 1.74±0.10(Predicted)
EPA
2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl- (5516-22-3)

안전 및 규제

안전 데이터

tsca
TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing Information2H-1-Benzopyran-2-one, 7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-: ACTIVE

공급사1 곳

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