기본 정보
- CAS
39945-18-1- 표준 SMILES
CCOC(=O)C(C(=O)OCC)=C1NC(=C(C(=O)OCC)C(=O)OCC)NC(=C(C(=O)OCC)C(=O)OCC)N1- InChIKey
CXLPQHRVFUIUIX-UHFFFAOYSA-N- 분자식
- C24H33N3O12
- 평균 분자량
- 555.5 g/mol
- 단동위원소 질량
- 555.2064235
이름 및 식별자
- 우선 이름
- 2,4,6(1H,3H,5H)-s-Triazine-delta(sup 2,alpha),delta(sup 4,alpha'),delta(sup 6,alpha'')-trimalonic acid, hexaethyl ester
- IUPAC
- diethyl 2-[4,6-bis(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3,5-triazinan-2-ylidene]propanedioate
- 현지명
- (헥사하이드로-1,3,5-트리아진-2,4,6-트리일리덴)트리스(말론산디에틸)에스테르
- 영어명
- (Hexahydro-1,3,5-triazine-2,4,6-triylidene)tris(malonic acid diethyl) ester
- 분자식
- C24H33N3O12
- 분자량
- 555.53
이름 및 동의어
39945-18-1BRN 47324722,4,6(1H,3H,5H)-s-Triazine-delta(sup 2,alpha),delta(sup 4,alpha'),delta(sup 6,alpha'')-trimalonic acid, hexaethyl esterDTXSID80192992RefChem:245645DTXCID201154832,4,6(1H,3H,5H)-s-Triazine-.delta.(sup 2,.alpha.),.delta.(sup 4,.alpha.'),.delta.(sup 6,.alpha.'')-trimalonic acid, hexaethyl ester(Hexahydro-1,3,5-triazine-2,4,6-triylidene)tris(malonic acid diethyl) esterhexaethyl 2,2',2''-(1,3,5-triazinane-2,4,6-triylidene)tripropanedioateCXLPQHRVFUIUIX-UHFFFAOYSA-Ndiethyl 2-[4,6-bis(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3,5-triazinan-2-ylidene]propanedioateSCHEMBL9372822
이름 더 보기
(헥사하이드로-1,3,5-트리아진-2,4,6-트리일리덴)트리스(말론산디에틸)에스테르2,2',2''-(1,3,5-Triazine-2,4,6(1H,3H,5H)-triylidene)tris(malonic acid diethyl) esterPropanedioic acid, 2,2',2''-(1,3,5-triazine-2,4,6(1H,3H,5H)-triylidene)tris-, hexaethyl ester (9CI)
STK672481AKOS000593650ST50298959AG-690/330970422,4,6-tris(dicarbethoxymethylene)hexahydro-s-triazine2,4,6-tris(dicarbethoxymethylene) hexahydro-1,3,5-triazineDIETHYL 2-{4,6-BIS[2-ETHOXY-1-(ETHOXYCARBONYL)-2-OXOETHYLIDENE]-1,3,5-TRIAZINAN-2-YLIDEN}MALONATEdiethyl 2-{4,6-bis[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene]-1,3,5-triazinan-2-ylidene}malonate
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 194 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 863
화학 및 산업
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