36431-22-8 (2-(2-4-二甲苯胺基)-3-甲基-6-二乙氨基荧烷,2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran)

CAS号:
36431-22-8
中文名称:
2-(2-4-二甲苯胺基)-3-甲基-6-二乙氨基荧烷
英文名称:
2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran
分子式:
C33H32N2O3
分子量:
504.618788719177

2-(2-4-二甲苯胺基)-3-甲基-6-二乙氨基荧烷(36431-22-8)名称与标识符

名称

中文别名:
2-(2-4-二甲苯胺基)-3-甲基-6-二乙氨基荧烷;2-(2',4'-二甲基苯氨基)-3-甲基-6-二乙氨基荧烷;3-二乙氨基-6-甲基-7-(2',4'-二苯氨基)荧烷;黑色素-15;2-(2',4'-二甲苯氨基)-3-甲基-6-二乙氨基荧烷(B15);
英文别名:
2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran;B-15;6'-Diethylamino-2'-[(2,4-dimethylphenyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one;black-15;6'-(diethylamino)-2'-(2,4-dimethylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one;AKOS015918412;Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-2'-((2,4-dimethylphenyl)amino)-3'-methyl-;6'-(diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-spiro[2-benzofuran-3,9'-xanthene]-1-one;A823241;UNII-A369O30BOI;AS-75531;Q27273554;2-(2,4-dimethylanilino)-3-methyl-6-diethylaminofluorane;6'-(diethylamino)-2'-(2,4-dimethylanilino)-3'-methyl-1-spiro[isobenzofuran-3,9'-xanthene]one;E79188;J278.536F;DTXSID0027989;NS00022102;3'-(DIETHYLAMINO)-6'-METHYL-7'-(2,4-XYLIDINO)SPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-3-ONE;FT-0656431;CS-0451688;A369O30BOI;WINCON 15;6'-(Diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one;SCHEMBL4609284;3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran;6'-(diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one;3-DIETHYLAMINO-6-METHYL-7-(2',4'-DIMETHYLANILINO)FLUORAN;36431-22-8;Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-;YAMAMOTO BLACK 15;AC-19657;6'-(diethylamino)-2'-((2,4-dimethylphenyl)amino)-3'-methyl-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one;GFGSEGIRJFDXFP-UHFFFAOYSA-N;

标识符

MDL:
MFCD08703297
InChIKey:
GFGSEGIRJFDXFP-UHFFFAOYSA-N
Inchi:
1S/C33H32N2O3/c1-6-35(7-2)23-13-14-26-31(18-23)37-30-17-22(5)29(34-28-15-12-20(3)16-21(28)4)19-27(30)33(26)25-11-9-8-10-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3
SMILES:
O1C(C2C=CC=CC=2C21C1C=CC(=CC=1OC1C=C(C)C(=CC2=1)NC1C=CC(C)=CC=1C)N(CC)CC)=O

2-(2-4-二甲苯胺基)-3-甲基-6-二乙氨基荧烷(36431-22-8)物化性质

实验特性

  • LogP : 7.84260
  • PSA : 50.80000
  • 折射率 : 1.678
  • 沸点 : 686.6°Cat760mmHg
  • 熔点 : 170℃
  • 蒸气压 : No data available
  • 闪点 : 369°C
  • 颜色与性状 : No data avaiable
  • 密度 : 1.27

计算特性

  • 精确分子量 : 504.24100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 同位素质量 : 504.241
  • 重原子数量 : 38
  • 复杂度 : 846
  • 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 : 1
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 7.6
  • 拓扑分子极性表面积 : 50.8A^2

2-(2-4-二甲苯胺基)-3-甲基-6-二乙氨基荧烷(36431-22-8)安全信息

2-(2-4-二甲苯胺基)-3-甲基-6-二乙氨基荧烷(36431-22-8)推荐厂家 更多厂家(43)