기본 정보
- CAS
68630-91-1- 표준 SMILES
CCCCCCCC1=[N+](CC(=O)[O-])CCN1CCN(CCC(=O)O)CCC(=O)O- InChIKey
GNVWZGDXBIMRBQ-UHFFFAOYSA-N- 분자식
- C20H35N3O6
- 평균 분자량
- 413.5 g/mol
- 단동위원소 질량
- 413.25258584
이름 및 식별자
- 우선 이름
- 1h-imidazolium, 1-(2-(bis(2-carboxyethyl)amino)ethyl)-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, inner salt
- IUPAC
- 2-[3-[2-[bis(2-carboxyethyl)amino]ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]acetate
이름 및 동의어
68630-91-1EINECS 271-924-11H-Imidazolium, 1-[2-[bis(2-carboxyethyl)amino]ethyl]-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, inner saltDTXSID00717041-(N,N-Bis(carboxyethyl)amino)ethyl-2-heptyl-3-carboxymethylimidazoline, inner salt1H-Imidazolium, 1-(2-(bis(2-carboxyethyl)amino)ethyl)-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, inner salt1H-Imidazolium, 1-(2-(bis(2-carboxyethyl)amino)ethyl)-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, hydroxide, inner saltRefChem:79810DTXCID20461772-(1-(2-(bis(2-carboxyethyl)amino)ethyl)-2-heptyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)acetateGNVWZGDXBIMRBQ-UHFFFAOYSA-N(3-{2-[Bis(2-carboxyethyl)amino]ethyl}-2-heptyl-4,5-dihydro-1H-imidazol-3-ium-1-yl)acetate
이름 더 보기
Dihydrogen 1-(2-(bis(2-carboxylatoethyl)amino)ethyl)-3-(carboxylatomethyl)-2-heptyl-4,5-dihydro-1H-imidazolium
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 555
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Imidazolium, 1-[2-[bis(2-carboxyethyl)amino]ethyl]-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, inner salt: ACTIVE
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