기본 정보
- CAS
21600-51-1- 표준 SMILES
CCOC(=O)c1ccc(N=NN(C)C)cc1- InChIKey
PDOLRHLZGYQIGP-UHFFFAOYSA-N- 분자식
- C11H15N3O2
- 평균 분자량
- 221.26 g/mol
- 단동위원소 질량
- 221.11642673
이름 및 식별자
- 우선 이름
- 3,3-Dimethyl-1-(4-carbethoxyphenyl)triazene
- IUPAC
- ethyl 4-(dimethylaminodiazenyl)benzoate
- 현지명
- 1-(4-카르복시에틸페닐)-3,3-디메틸트리아젠
- 영어명
- 1-(4-carboxyethylphenyl)-3,3-dimethyltriazene
- 분자식
- C11H15N3O2
- 분자량
- 221.26
이름 및 동의어
3,3-Dimethyl-1-(4-carbethoxyphenyl)triazene21600-51-1ethyl 4-(dimethylaminodiazenyl)benzoate1-(p-Carbethoxyphenyl)-3,3-dimethyltriazineEthyl 4-(3,3-dimethyl-1-triazenyl)benzoateethyl 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate1-(4-Carbethoxyphenyl)-3,3-dimethyltriazeneMLS000767141NSC 86445AT 2052ETHYLBENZOATE433DIMETHYLTRIAZENYL1(4-Carbethoxyphenyl)-3,3-dimethyltriazene
이름 더 보기
1-(4-카르복시에틸페닐)-3,3-디메틸트리아젠1-(4-carboxyethylphenyl)-3,3-dimethyltriazene4-(3,3-Dimethyl-1-triazenyl)benzoic acid ethyl4-(3,3-Dimethyl-1-triazenyl)benzoic acid ethyl esterBenzoic acid, 4-(3,3-dimethyl-1-triazen-1-yl)-, ethyl ester
Triazene, 1-(p-ethylcarboxyphenyl)-3,3-dimethyl-1-(p-Carboxyaetylphenyl)-3,3-dimethyltriazen [German]CHEMBL1331788Benzoic acid, p-(3,3-dimethyl-1-triazeno)-, ethyl esterBENZOIC ACID, p-(3-DIMETHYLTRIAZENO)-, ETHYL ESTERDTXSID40876488Benzoic acid, 4-(3,3-dimethyl-1-triazenyl)-, ethyl esterDTXSID801384160
데이터베이스 식별자
- CAS
21600-51-1- PubChem CID
- 30700
- DTXSID
DTXSID801384160- ChEMBL
CHEMBL1331788- Nikkaji
- J3.464I
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 54.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 246
실험 및 물리화학적 성질
LogP3.66
Solubility5.5 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 끓는 점
- 362.32 °C · 362.32°C (rough estimate)
- 밀도
- 1.1562 · 1.1562 (rough estimate)
- 굴절률
- 1.493 · 1.4930 (estimate)
- 산도 계수 (pKa)
- 0.9 · 0.90±0.70(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
VITAS-BB—
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