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2-[3-({4-[(Diaminomethylidene)amino]butyl}amino)propyl]guanidine sulfate(1:1)

HCID 273115
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Basic information

CAS
82958-68-7
Standard SMILES
NC(N)=NCCCCNCCCN=C(N)N.O=S(=O)(O)O
InChIKey
VFTOAYKDOXUZTG-UHFFFAOYSA-N
Molecular formula
C9H25N7O4S
Average molar mass
327.41 g/mol
Monoisotopic mass
327.16887348

Names & identifiers

Preferred name
2-[3-({4-[(Diaminomethylidene)amino]butyl}amino)propyl]guanidine sulfate(1:1)
IUPAC
2-[3-[4-(diaminomethylideneamino)butylamino]propyl]guanidine;sulfuric acid

Names & synonyms

82958-68-72-[3-({4-[(diaminomethylidene)amino]butyl}amino)propyl]guanidine sulfate(1:1)NSC118067DTXSID10297782NSC-118067Sulfuric acid--N''-[3-({4-[(diaminomethylidene)amino]butyl}amino)propyl]guanidine (1/1)

Database identifiers

CAS
82958-68-7
PubChem CID
273115
DTXSID
DTXSID10297782

Properties

Computed structural properties

Topological polar surface area
224 Ų
Hydrogen bond donors
7
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
21
Formal charge
0
Complexity
297

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