1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-

HCID 23343365

기본 정보

CAS
52830-80-5
표준 SMILES
CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3ccccc32)c(C)c1
InChIKey
YEWGFFJIKYOBSD-UHFFFAOYSA-N
분자식
C29H35N3O2
평균 분자량
457.6 g/mol
단동위원소 질량
457.27292736

이름 및 식별자

우선 이름
1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-
IUPAC
3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one

이름 및 동의어

52830-80-51(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-SCHEMBL11438894DTXSID90886017NS000580262,4-bis(dimethylamino)-phenyl-3-(2-methyl-4-(diethylamino)phenyl)phthalide3-(2,4-bis(dimethylamino)-phenyl)-3-(2-methyl-4-(diethylamino)phenyl)phthalide3-(2,4-bis(dimethylamino)phenyl)-3-(2-methyl-4-(diethylamino)phenyl)phthalide3-[2,4-Bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1(3H)-one

데이터베이스 식별자

CAS
52830-80-5
PubChem CID
23343365
DTXSID
DTXSID90886017
EC Number
258-213-1
Nikkaji
J295.815E

물성

구조 계산 물성

XLogP
6
극성 표면적
36 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
7
무거운 원자 수
34

화학 및 산업

용도 및 제조

General Manufacturing Information1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-: INACTIVE

관련 반응

8건

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