2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine
Basic information
- CAS
459-86-9- Standard SMILES
CC(C=NN=C(N)N)=NN=C(N)N- InChIKey
MXWHMTNPTTVWDM-UHFFFAOYSA-N- Molecular formula
- C5H12N8
- Average molar mass
- 184.2 g/mol
- Monoisotopic mass
- 184.11849242
Names & identifiers
- Preferred name
- 2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine
- IUPAC
- 2-[1-(diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine
- English name
- Mitoguazone
- Molecular formula
- C5H12N8
- Molecular weight
- 184.2
Names & synonyms
NCIMech_000278NCIOpen2_0032982,2'-(1-Methyl-1,2-ethanediylidene)bis[hydrazinecarboximidamide]MXWHMTNPTTVWDM-UHFFFAOYSA-N2-[1-(diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidineNCI60_0028792,2'-(methyl-1,2-ethanediylidene)bis[hydrazine carboximidamide]MGBGMe-GAGmethyl-gmethyl-gagMitoguazone USP/EP/BP
Show more names
Mitoguazone(Methyl-GAG)Methylglycoxali BisguanylhydrazonuMPyruvaldehyde bis(amidinohydrazone)1,1'-((methylethanediylidene)dinitrilo)diguanidine1,1'-((methylethanediylidene)dinitrilo)di-guanidin
Database identifiers
- CAS
459-86-9- PubChem CID
- 9991
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 225 °C · 225 °C (decomp)
- Boiling point
- 323.8 · 323.8±25.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 0.1 · Acetonitrile: Slightly Soluble: 0.1-1 mg/mLWater: Sparingly Soluble: 1-10 mg/mL
- form
- Solid
- pka
- 7.63 · 7.63, 9.05(at 25℃)
- color
- Light brown to brown
- Water Solubility
- 50 mg/mL · Water: 50 mg/mL (271.44 mM; ultrasonic and adjust pH to 9 with HCl)
- CAS DataBase Reference
- 459 · 459-86-9
- FDA UNII
- 5 Q0L447W · OD5Q0L447W
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
UsesMitoguazone has therapeutic applications as a cytotoxic agent.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: A hydrazone obtained by formal condensation of the two carbonyl groups of methylglyoxal with the primary amino groups of two molecules of aminoguanidine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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