디메틸2,5-디아닐리노시클로헥사-1,4-디엔-1,4-디카르복실레이트

1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, 1,4-dimethyl ester

HCID 78610CAS 4898-58-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C1=C(Nc2ccccc2)CC(C(=O)OC)=C(Nc2ccccc2)C1
InChIKey: JAWHCRQIVXIBNR-UHFFFAOYSA-N
분자식: C22H22N2O4
평균 분자량: 378.4 g/mol
단동위원소 질량: 378.15795718

이름 및 식별자

우선 이름: 1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, 1,4-dimethyl ester
IUPAC: dimethyl 2,5-dianilinocyclohexa-1,4-diene-1,4-dicarboxylate
현지명: 디메틸2,5-디아닐리노시클로헥사-1,4-디엔-1,4-디카르복실레이트
영어명: dimethyl 2,5-dianilinocyclohexa-1,4-diene-1,4-dicarboxylate
분자식: C22H22N2O4
분자량: 378.42

이름 및 동의어

Dimethyl 2,5-dianilinocyclohexa-1,4-diene-1,4-dicarboxylate4898-58-2EINECS 225-524-9DTXSID60636402,5-Dianilino-3,6-dihydro-1,4-benzenedicarboxylic acid, dimethyl ester1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, dimethyl esterDimethyl 2,5-dianilino-1,4-cyclohexadiene-1,4-dicarboxylate1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, 1,4-dimethyl esterRefChem:416565DTXCID2040656225-524-9SCHEMBL3909905

이름 더 보기

디메틸2,5-디아닐리노시클로헥사-1,4-디엔-1,4-디카르복실레이트2,5-Dianilino-1,4-cyclohexadiene-1,4-dicarboxylic acid dimethyl ester

MFCD11500132NS00031841dimethyl 2,5-dianilino-3,6-dihydroterephthalatedimethyl 3,6-dihydro-2,5-dianilinoterephthalate2,5-dianilino-3,6-dihydroterephthalic acid dimethyl ester2,5-bis(phenylamino)-1,4-cyclohexadiene-1,4-dicarboxylic acid dimethyl ester

데이터베이스 식별자

CAS: 4898-58-2
PubChem CID: 78610
DTXSID: DTXSID6063640
EC Number: 225-524-9
Nikkaji: J169.133C

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 76.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 28
형식 전하: 0
복잡도: 585

물리화학적 성질

끓는 점: 539.1 · 539.1±50.0 °C(Predicted)
밀도: 1.304 · 1.304±0.06 g/cm3(Predicted)
산도 계수 (pKa): -0.65 · -0.65±0.60(Predicted)
EPA: 1 · 1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, dimethyl ester (4898-58-2)