8066-33-9 ((Pentolite)

结构式:
CAS号:
8066-33-9
英文名称:
Pentolite
分子式:
C12H13N7O18
分子量:
543.267722845078

Pentolite(8066-33-9)名称与标识符

名称

英文别名:
2-methyl-1,3,5-trinitrobenzene,[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate;Pentolite;Anzomex PowerPlus P;PETN mixture with TNT;PETN / TNT;tnt-petn;UN0151;PETN TNT;Pentolite, dry or wetted with <15% water, by mass;Pentaerythritol tetranitrate mixture with trinitrotoluene;HZTVIZREFBBQMG-UHFFFAOYSA-N;Pentolite, dry or wetted with <15% water, by mass [UN0151] [Explosive 1.1D];2,2-Bis[(nitrooxy)methyl]propane-1,3-diyl dinitrate--2-methyl-1,3,5-trinitrobenzene (1/1);1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, dinitrate (ester), mixt. with 2-;

标识符

InChIKey:
HZTVIZREFBBQMG-UHFFFAOYSA-N
Inchi:
1S/C7H5N3O6.C5H8N4O12/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16;10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h2-3H,1H3;1-4H2
SMILES:
O(CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])[N+](=O)[O-].[O-][N+](C1C=C(C=C(C=1C)[N+](=O)[O-])[N+](=O)[O-])=O

Pentolite(8066-33-9)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 18
  • 可旋转化学键数量 : 8
  • 重原子数量 : 37
  • 复杂度 : 603
  • 拓扑分子极性表面积 : 358

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