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  2. 6973-01-9
4-Pteridinamine | 6973-01-9

Product Name:4-Pteridinamine

CAS No:6973-01-9
MF:C6H5N5
MW:147.1374
CID:507076
PubChem ID:81449
Names and Identifiers
  • 4-Pteridinamine
  • 4-Aminopteridine
  • BRN 0131978
  • Pteridin-4-ylamin
  • 4-Pteridinamine
  • AC1L31CU
  • 4-Amino-pteridin
  • Pteridine, 4-amino-
  • 4-aminopteridine
  • AC1Q4W4Z
  • 4-Pteridinamine (9CI)
  • pteridin-4-ylamine
  • 4-Aminopteridin
  • DTXSID20220026
  • DTXSID20220026
  • DTXSID20220026
  • 6973-01-9
  • 6973-01-9
  • 6973-01-9
  • SCHEMBL2007375
  • SCHEMBL2007375
  • SCHEMBL2007375
  • 5-26-17-00224 (Beilstein Handbook Reference)
  • 5-26-17-00224 (Beilstein Handbook Reference)
  • 5-26-17-00224 (Beilstein Handbook Reference)
  • NCIOpen2_000004
  • NCIOpen2_000004
  • NCIOpen2_000004
  • pteridin-4-ylamine
  • pteridin-4-ylamine
  • pteridin-4-ylamine
  • AKOS005207176
  • AKOS005207176
  • AKOS005207176
  • C6H5N5
  • C6H5N5
  • C6H5N5
  • NSC-62507
  • NSC-62507
  • NSC-62507
  • pteridin-4-amine
  • pteridin-4-amine
  • pteridin-4-amine
  • BRN 0131978
  • BRN 0131978
  • BRN 0131978
  • 7O09I8IZT4
  • 7O09I8IZT4
  • 7O09I8IZT4
  • NSC62507
  • NSC62507
  • NSC62507
  • VFATYAVSACUHHG-UHFFFAOYSA-N
  • VFATYAVSACUHHG-UHFFFAOYSA-N
  • VFATYAVSACUHHG-UHFFFAOYSA-N
  • 4-Pteridinamine (9CI)
  • 4-Pteridinamine (9CI)
  • 4-Pteridinamine (9CI)
  • Pteridine, 4-amino-
  • Pteridine, 4-amino-
  • Pteridine, 4-amino-
  • 4-Aminopteridine
  • 4-Aminopteridine
  • 4-Aminopteridine
  • UNII-7O09I8IZT4
  • UNII-7O09I8IZT4
  • UNII-7O09I8IZT4
  • NSC 62507
  • NSC 62507
  • FT-0760746
  • NSC 62507
  • FT-0760746
  • FT-0760746
  • InChIKey:VFATYAVSACUHHG-UHFFFAOYSA-N
  • Inchi:InChI=1S/C6H5N5/c7-5-4-6(11-3-10-5)9-2-1-8-4/h1-3H,(H2,7,9,10,11)
  • SMILES:C1=CN=C2C(=N1)C(=NC=N2)N
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 147.05465
  • 氢键供体数量: 1
  • 氢键受体数量: 5
  • 可旋转化学键数量: 0
  • 同位素质量: 147.054
  • 重原子数量: 11
  • 复杂度: 139
  • 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: 1
  • 疏水参数计算参考值(XlogP): -0.5
  • 拓扑分子极性表面积: 77.6A^2

Experimental Properties

  • PSA: 77.58
  • 折射率: 1.7000 (estimate)
  • 沸点: 257.23°C (rough estimate)
  • 熔点: 305°C
  • 闪点: 198.7°C
  • 密度: 1.3913 (rough estimate)
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