Methanone, bis(3,4-diaminophenyl)-
Basic information
- CAS
5007-67-0- Standard SMILES
Nc1ccc(C(=O)c2ccc(N)c(N)c2)cc1N- InChIKey
NLNRQJQXCQVDQJ-UHFFFAOYSA-N- Molecular formula
- C13H14N4O
- Average molar mass
- 242.28 g/mol
- Monoisotopic mass
- 242.11676108
Names & identifiers
- Preferred name
- Methanone, bis(3,4-diaminophenyl)-
- IUPAC
- bis(3,4-diaminophenyl)methanone
- English name
- 3.3'.4.4'-Tetra aminobenzophenone
- Molecular formula
- C13H14N4O
- Molecular weight
- 242.28
Names & synonyms
Methanone, bis(3,4-diaminophenyl)-3,3',4,4'-TetraaminobenzophenoneEINECS 225-683-4DTXSID3063675RefChem:156966DTXCID8040775225-683-4bis(3,4-diaminophenyl)methanone5007-67-04-(3,4-diaminobenzoyl)benzene-1,2-diamineMFCD000147723.3/'.4.4/'-Tetra aminobenzophenone
Show more names
bis(3,4-Diaminophenyl)3.3'.4.4'-TETRA AMINOBENZOPHENO3,3',4,4'-Tetraaminobenzophenon3,4,3',4'-Tetraaminobenzophenone
QLZ8CZU2AZ3.3'.4.4'-TETRA AMINOBENZOPHENONECBMicro_013166Cambridge id 5180144Oprea1_741917SCHEMBL6801673,3',4,4'-tetraminobenzophenoneSMSF0004151
Database identifiers
- CAS
5007-67-0- PubChem CID
- 78707
- DTXSID
DTXSID3063675- UNII
- QLZ8CZU2AZ
- EC Number
- 225-683-4
- Nikkaji
- J203.241D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 216 · 216-218℃
- Boiling point
- 591.1 · 591.1±50.0 °C(Predicted)
- Density
- 1.371 · 1.371
- pka
- 3.06 · 3.06±0.10(Predicted)
- EPA Substance Registry System
- Methanone, bis(3,4-diaminophenyl)- (5007-67-0)
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H341
- Precautionary statements
- 501 · P501-P202-P201-P264-P280-P308+P313-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362-P405
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H315-H319-H341
- Precautionary statements
- P501-P202-P201-P264-P280-P308+P313-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, bis(3,4-diaminophenyl)-: INACTIVE
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Related reactions
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Compound notes
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