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82958-68-7 | 2-[3-({4-[(diaminomethylidene)amino]butyl}amino)propyl]guanidine sulfate(1:1)
CAS No: 82958-68-7 Catalog No: AG005EHJ MDL No:
Product Description
Catalog Number:
AG005EHJ
Chemical Name:
2-[3-({4-[(diaminomethylidene)amino]butyl}amino)propyl]guanidine sulfate(1:1)
CAS Number:
82958-68-7
Molecular Formula:
C9H25N7O4S
Molecular Weight:
327.4043
IUPAC Name:
2-[3-[4-(diaminomethylideneamino)butylamino]propyl]guanidine;sulfuric acid
InChI:
InChI=1S/C9H23N7.H2O4S/c10-8(11)15-6-2-1-4-14-5-3-7-16-9(12)13;1-5(2,3)4/h14H,1-7H2,(H4,10,11,15)(H4,12,13,16);(H2,1,2,3,4)
InChI Key:
VFTOAYKDOXUZTG-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NC(=NCCCNCCCCN=C(N)N)N
NSC Number:
118067
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
327.404g/mol
Monoisotopic Mass:
327.169g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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