Benzonitrile, 3,3'-methylenebis[6-amino-
Basic information
- CAS
61381-99-5- Standard SMILES
N#Cc1cc(Cc2ccc(N)c(C#N)c2)ccc1N- InChIKey
BXERHCITLNBIMV-UHFFFAOYSA-N- Molecular formula
- C15H12N4
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.1061964
Names & identifiers
- Preferred name
- Benzonitrile, 3,3'-methylenebis[6-amino-
- IUPAC
- 2-amino-5-[(4-amino-3-cyanophenyl)methyl]benzonitrile
- English name
- Benzonitrile, 3,3'-methylenebis[6-amino-
- Molecular formula
- C15H12N4
- Molecular weight
- 248.28
Names & synonyms
Benzonitrile, 3,3'-methylenebis[6-amino-61381-99-53,3'-Methylenebis(6-aminobenzonitrile)Cambridge id 5180080TimTec1_000972SCHEMBL11057646DTXSID50351110HMS1536M04AKOS024275103NCGC00174926-01ST0101593,3'-dicyano-4,4'-diamino-diphenylmethane
Show more names
5,5'-METHYLENEBIS(2-AMINOBENZONITRILE)SR-01000197733SR-01000197733-1BRD-K87388348-001-01-92-amino-5-[(4-amino-3-cyanophenyl)methyl]benzenecarbonitrile
Database identifiers
- CAS
61381-99-5- PubChem CID
- 690962
- DTXSID
DTXSID50351110- EC Number
- 167-237-0
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 161 · 161-161.5 °C(Solv: benzene (71-43-2); hexane (110-54-3))
- Boiling point
- 511.5 · 511.5±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 2.44 · 2.44±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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