기본 정보
- 표준 SMILES
N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1- InChIKey
AFAIELJLZYUNPW-UHFFFAOYSA-N- 분자식
- C19H17N3
- 평균 분자량
- 287.4 g/mol
- 단동위원소 질량
- 287.14224754
개요
Pararosaniline free base is an imine that is 4-methylidenecyclohexa-2,5-dien-1-imine in which both the hydrogens of the methylidene group are replaced by 4-aminophenyl groups. The hydrochloride salt is the histological dye 'pararosaniline'. It has a role as a fluorochrome and a histological dye. It is an imine and a substituted aniline. It is a conjugate base of a pararosaniline(1+).
이름 및 식별자
- 우선 이름
- Pararosaniline
- IUPAC
- 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
- 현지명
- 파라로사닐린
- 영어명
- pararosaniline
- 분자식
- C19H17N3
- 분자량
- 287.36
이름 및 동의어
Homolka's Base20N4C0M8NM4-((4-AMINOPHENYL)(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)BENZENAMINE4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)benzeneamine monohydrochlorideCHEBI:87663RefChem:928586ALPHA-(P-AMINOPHENYL)-ALPHA-(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)-P-TOLUIDINEalpha-(4-aminophenyl)-alpha-(4-imino-2,5-cyclohexadien-1-ylidene)-4-toluidine monohydrochlorideBasic Red 9Pararosaniline479-73-24-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
이름 더 보기
파라로사닐린C005409pararosaniline free basePararosaniline monoacetatePararosaniline monohydroiodidePararosaniline monohydrochloride4-[Bis(4-aminophenyl)methylene]-2,5-cyclohexadien-1-imine4,4'-[(4-Imino-2,5-cyclohexadienylidene)methylene]bis(aniline)Benzenamine, 4,4'-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]bis-
MLS002701900ParasanilineParaMagentap-Rosaniline HClSMR001565485NSC10460Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-UNII-20N4C0M8NM
데이터베이스 식별자
- CAS
479-73-2- PubChem CID
- 11293
- DTXSID
DTXSID5043845- ChEMBL
CHEMBL1368322- ChEBI
CHEBI:75372- UNII
- 20N4C0M8NM
- EC Number
- 610-397-8
- Nikkaji
- J1.541E
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 75.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 457
실험 및 물리화학적 성질
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP-0.21
Collision Cross Section173.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1021247]
물리화학적 성질
- EPA
- 9 · C.I. Basic Red 9 (479-73-2)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents employed in the preparation of histologic or pathologic specimens for the purpose of maintaining the existing form and structure of all of the constituent elements. Great numbers of different agents are used; some are also decalcifying and hardening agents. They must quickly kill and coagulate living tissue.
Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
추가 설명
정의ChEBI: An imine that is 4-methylidenecyclohexa-2,5-dien-1-imine in which both the hydrogens of the methylidene group are replaced by 4-aminophenyl groups. The hydrochloride salt is the histological dye 'pararosaniline'.
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1건
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