2-[비스[4-(디메틸아미노)페닐]메틸]-5-(디메틸아미노)벤조산

2-(Bis(4-(dimethylamino)phenyl)methyl)-5-(dimethylamino)benzoic acid

HCID 102063

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1255-69-2
표준 SMILES: CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2C(=O)O)cc1
InChIKey: BQGGOSXJLSPVRH-UHFFFAOYSA-N
분자식: C26H31N3O2
평균 분자량: 417.5 g/mol
단동위원소 질량: 417.24162723

이름 및 식별자

우선 이름: 2-(Bis(4-(dimethylamino)phenyl)methyl)-5-(dimethylamino)benzoic acid
IUPAC: 2-[bis[4-(dimethylamino)phenyl]methyl]-5-(dimethylamino)benzoic acid
현지명: 2-[비스[4-(디메틸아미노)페닐]메틸]-5-(디메틸아미노)벤조산
영어명: 2-[bis[4-(dimethylamino)phenyl]methyl]-5-(dimethylamino)benzoic acid
분자식: C26H31N3O2
분자량: 417.54

이름 및 동의어

2-[bis[4-(dimethylamino)phenyl]methyl]-5-(dimethylamino)benzoic acidBenzoic acid, 2-[bis[4-(dimethylamino)phenyl]methyl]-5-(dimethylamino)-EINECS 215-016-5DTXSID70616412-{bis[4-(dimethylamino)phenyl]methyl}-5-(dimethylamino)benzoic acidBenzoic acid, 2-(bis(4-dimethylamino)phenyl)methyl)-5-(dimethylamino)-2-(4,4'-(Dimethylamino)benzhydryl)-5-(dimethylamino)benzoic acidBenzoic acid, 2-(bis(4-(dimethylamino)phenyl)methyl)-5-(dimethylamino)-2-(Bis(4-(dimethylamino)phenyl)methyl)-5-(dimethylamino)benzoic acidRefChem:253286DTXCID1033870215-016-5

이름 더 보기

2-[비스[4-(디메틸아미노)페닐]메틸]-5-(디메틸아미노)벤조산5-Dimethylamino-2-[4,4'-bis(dimethylamino)benzhydryl]benzoic acid

1255-69-2SCHEMBL7778141NS000240302-[4,4'-bis(dimethylamino) benzhydryl]-5-dimethylaminobenzoic acid2-[4,4'-bis(dimethylamino)-benzhydryl]-5-dimethylaminobenzoic acid2-[4,4'-bis(dimethylamino)benzhydryl]-5-dimethylaminobenzoic acid2-[4,4'-bis-(dimethylamino)-benzhydryl]-5-dimethylaminobenzoic acid2-[4,4'-bis-(dimethylamino)benzhydryl]-5-dimethylaminobenzoic acid

데이터베이스 식별자

CAS: 1255-69-2
PubChem CID: 102063
DTXSID: DTXSID7061641
EC Number: 215-016-5
Nikkaji: J23.790F

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 47 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 31
형식 전하: 0
복잡도: 535

물리화학적 성질

녹는점: 199 · 199-201 °C(Solv: benzene (71-43-2))
끓는 점: 614.6 · 614.6±55.0 °C(Predicted)
밀도: 1.162 · 1.162±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.02 · 3.02±0.36(Predicted)
EPA: 2 · Benzoic acid, 2-[bis[4-(dimethylamino)phenyl]methyl]-5-(dimethylamino)- (1255-69-2)