Benzenecarboximidamide, 4,4'-methylenebis-
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Basic information
- CAS
63690-09-5- Standard SMILES
N=C(N)c1ccc(Cc2ccc(C(=N)N)cc2)cc1- InChIKey
FTMSARBDCMBEPC-UHFFFAOYSA-N- Molecular formula
- C15H16N4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13749653
Names & identifiers
- Preferred name
- Benzenecarboximidamide, 4,4'-methylenebis-
- IUPAC
- 4-[(4-carbamimidoylphenyl)methyl]benzenecarboximidamide
- English name
- 4,4'-Methylenebis(benzamidine)
- Molecular formula
- C15H16N4
- Molecular weight
- 252.31
Names & synonyms
p,p'-DiamidinodiphenylmethaneBenzenecarboximidamide, 4,4'-methylenebis-63690-09-5Methylenediphenyl-4,4'-diamidineDTXSID8075259RefChem:324474DTXCID7044053SCHEMBL27172684,4'-Methylenebis(benzamidine)DB-3159624,4'-Methylenedi(benzene-1-carboximidamide)4,4'-Methylenebis(benzenecarbimide amide)
Database identifiers
- CAS
63690-09-5- PubChem CID
- 93347
- DTXSID
DTXSID8075259- Nikkaji
- J149.268C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 385.5 °C · 385.5°C (rough estimate)
- Density
- 1.1526 · 1.1526 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 12.32 · 12.32±0.50(Predicted)
- EPA Substance Registry System
- 4 · Benzenecarboximidamide, 4,4'-methylenebis- (63690-09-5)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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