4,4'-(Ethene-1,2-diyl)di(benzene-1-carboximidamide)
Basic information
- CAS
122-06-5- Standard SMILES
N=C(N)c1ccc(C=Cc2ccc(C(=N)N)cc2)cc1- InChIKey
MMURVNDSFNJHAM-UHFFFAOYSA-N- Molecular formula
- C16H16N4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13749653
Names & identifiers
- Preferred name
- 4,4'-(Ethene-1,2-diyl)di(benzene-1-carboximidamide)
- IUPAC
- 4-[2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
- English name
- stilbamidine
- Molecular formula
- C16H16N4
- Molecular weight
- 264.33
Names & synonyms
DTXSID308618084,4'-(Ethene-1,2-diyl)di(benzene-1-carboximidamide)RefChem:284488DTXCID808106844,4'-ethene-1,2-diyldibenzenecarboximidamideBa 2652;StilbamidinNSC35605NCIStruc1_000990NCIStruc2_001283SCHEMBL889782orb1707814AAA12206
Show more names
Ba 2652Stilbamidinstilbamidine4,4'-Stilbenedicarboxamidine2-(2-phenylethenyl)benzenecarboximidamideBenzenecarboximidamide, 4,4'-(1,2-ethenediyl)bis-
NCI60_0032094,4'-Stilbenedicarboxamidine, diisethionateNS00041372
Database identifiers
- CAS
122-06-5、6935-63-3- PubChem CID
- 8811
- DTXSID
DTXSID30861808
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 397.56 °C · 397.56°C (rough estimate)
- Density
- 1.1536 · 1.1536 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 31 IIO5EW · ST31IIO5EW
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H400
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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,GHS09
- Hazard statements
- H319-H302-H400
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesStilbamidine is a diamidine compound derived from Stilbene and used chiefly in the form of its crystalline isethionate salt in treating various fungal infections.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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