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Dicyclohexylamine hemi(4-(2-carboxylato-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoate)

  • CAS No. 1548618-54-7

  • Cat. No. CS-0015370
  • Purity≥98%
  • MDL No.MFCD30533219

*For research and further manufacturing use only, not for direct human use.

Dicyclohexylamine hemi(4-(2-carboxylato-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoate)|CS-0015370

Structure of 1548618-54-7

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General Information

  • CAS No. 1548618-54-7
  • Cat. No. CS-0015370
  • Purity ≥98%
  • MDL No. MFCD30533219
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₃H₆₂N₈O₄
  • Molecular Weight 755.00
  • Synonym(s) 6-Pteridinepropanoicacid,2,4-diamino-α-(4-carboxyphenyl)-α-2-propyn-1-yl-(N-cyclohexylcyclohexanamine)
  • SMILES O=C(O)C1=CC=C(C(CC#C)(C(O)=O)CC2=NC3=C(N)N=C(N)N=C3N=C2)C=C1.C4(NC5CCCCC5)CCCCC4.C6(NC7CCCCC7)CCCCC6

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   202.26
  • LogP   7.3536
  • H_Acceptors   10
  • H_Donors   6
  • Rotatable_Bonds   10

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