479-73-2 ((Benzenamine,4,4'-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]bis-)

CAS号:
479-73-2
英文名称:
Benzenamine,4,4'-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]bis-
分子式:
C19H17N3
分子量:
287.358383893967

Benzenamine,4,4'-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]bis-(479-73-2)名称与标识符

名称

英文别名:
Benzenamine,4,4'-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]bis-;4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;pararosaniline;CHEMBL1368322;Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-;DTXSID5043845;NCGC00013110;Neuro_000010;NCIStruc2_000958;cid_11293;4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methanediyl]dianiline;NCGC00096231-01;NSC10460;NCI60_000112;MLS002701900;NS00005424;Para Magenta;Parasaniline;4-((4-AMINOPHENYL)(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)BENZENAMINE;NCIStruc1_001010;Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidiene)methyl)-;AKOS022135417;C.I. Basic Red 9;4-[(4-aminophenyl)-(4-imino-1-cyclohexa-2,5-dienylidene)methyl]aniline;4-[(4-aminophenyl)-(4-azanylidenecyclohexa-2,5-dien-1-ylidene)methyl]aniline;pararosaniline free base;BDBM93926;AFAIELJLZYUNPW-UHFFFAOYSA-N;NCGC00013110-02;479-73-2;ParaMagenta;Homolka's Base;SCHEMBL825929;CCG-36728;4-(4,4'-diamino-benzhydrylidene)-cyclohexa-2,5-dienone-imine;Parafuchsin;.ALPHA.-(P-AMINOPHENYL)-.ALPHA.-(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)-P-TOLUIDINE;CHEBI:75372;Q421256;NCI10460;20N4C0M8NM;4-((4-Aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)phenylamine;SMR001565485;[4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]amine;Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-;UNII-20N4C0M8NM;

标识符

InChIKey:
AFAIELJLZYUNPW-UHFFFAOYSA-N
Inchi:
1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2
SMILES:
NC1C=CC(=CC=1)/C(=C1/C=CC(C=C/1)=N)/C1C=CC(=CC=1)N

Benzenamine,4,4'-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]bis-(479-73-2)物化性质

实验特性

  • LogP : log Kow = -0.21
  • 沸点 : 568.2°Cat760mmHg
  • 熔点 : 268-270 deg C (decomposes)
  • 闪点 : 297.4°C

计算特性

  • 精确分子量 : 323.118925
  • 氢键供体数量 : 4
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 323.118925
  • 重原子数量 : 23
  • 复杂度 : 457
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 疏水参数计算参考值(XlogP) : 3.3
  • 拓扑分子极性表面积 : 75.9

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