N,N,N,N-四(对二异丁胺基苯基)-对苯二胺结构式

中文名称:N,N,N,N-四(对二异丁胺基苯基)-对苯二胺
英文名称:N1,N1'-(1,4-Phenylene)bis(N1-(4-(diisobutylamino)phenyl)-N4,N4-diisobutylbenzene-1,4-diamine)
CAS No.:485831-34-3
分子式:C62H92N6 分子量:921.4341
N,N,N,N-四(对二异丁胺基苯基)-对苯二胺 数据
Mol:
550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3159    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6756    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0352    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6756    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    7.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    3.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
  1 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 39  1  0  0  0  0
 42 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 45 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 38 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 59 54  1  0  0  0  0
 57 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 62 64  1  0  0  0  0
 60 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 66 68  1  0  0  0  0
M  END                                
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N,N,N,N-四(对二异丁胺基苯基)-对苯二胺 Smile 编码:
C1(N(C2C=CC(N(CC(C)C)CC(C)C)=CC=2)C2C=CC(N(CC(C)C)CC(C)C)=CC=2)C=CC(N(C2C=CC(N(CC(C)C)CC(C)C)=CC=2)C2C=CC(N(CC(C)C)CC(C)C)=CC=2)=CC=1
N,N,N,N-四(对二异丁胺基苯基)-对苯二胺 InChi 编码:
1S/C62H92N6/c1-45(2)37-63(38-46(3)4)53-17-25-57(26-18-53)67(58-27-19-54(20-28-58)64(39-47(5)6)40-48(7)8)61-33-35-62(36-34-61)68(59-29-21-55(22-30-59)65(41-49(9)10)42-50(11)12)60-31-23-56(24-32-60)66(43-51(13)14)44-52(15)16/h17-36,45-52H,37-44H2,1-16H3
N,N,N,N-四(对二异丁胺基苯基)-对苯二胺 InChiKey 编码:
INGVZLYSYVSTRR-UHFFFAOYSA-N