기본 정보
- CAS
23125-32-8- 표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccn1- InChIKey
DJCQWHDYLUBTRW-UHFFFAOYSA-N- 분자식
- C16H18N2O4
- 평균 분자량
- 302.32 g/mol
- 단동위원소 질량
- 302.12665706
이름 및 식별자
- 우선 이름
- Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-pyridyl)pyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
- 영어명
- [2,4'-Bipyridine]-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-, 3',5'-dimethyl ester
- 분자식
- C16H18N2O4
- 분자량
- 302.33
이름 및 동의어
dimethyl 2',6'-dimethyl-1',4'-dihydro-2,4'-bipyridine-3',5'-dicarboxylateMLS000062419Oprea1_732107CHEMBL83049SCHEMBL7160171DJCQWHDYLUBTRW-UHFFFAOYSA-NHMS2506N21GEO-03602AKOS002250380SMR000073118ST50561524SR-01000264495
이름 더 보기
dimethyl 2,6-dimethyl-4-(2-pyridyl)-1,4-dihydro-3,5-pyridinedicarboxylatedimethyl 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate3,5-dimethyl 2,6-dimethyl-4-(pyridin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate3',5'-dimethyl 2',6'-dimethyl-1',4'-dihydro-[2,4'-bipyridine]-3',5'-dicarboxylate[2,4'-Bipyridine]-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-, 3',5'-dimethyl ester
SR-01000264495-1Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-pyridyl)pyridine-3,5-dicarboxylate2',6'-DIMETHYL-1',4'-2H-(2,4')BIPYRIDINYL-3',5'-DICARBOXYLIC ACID DIMETHYL ESTERDimethyl 2',6'-dimethyl-1',4'-dihydro-[2,4'-bipyridine]-3',5'-dicarboxylatemethyl 5-(methoxycarbonyl)-2,6-dimethyl-4-(2-pyridyl)-1,4-dihydropyridine-3-ca rboxylate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 77.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 498
물리화학적 성질
- 녹는점
- 239 · 239-241 °C
- 끓는 점
- 443.5 · 443.5±45.0 °C(Predicted)
- 밀도
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.24 · 4.24±0.19(Predicted)
화학 및 산업
공급사3 곳
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
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