Malonanilide
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Basic information
- CAS
621-10-3- Standard SMILES
O=C(CC(=O)Nc1ccccc1)Nc1ccccc1- InChIKey
YYAQOJILQOVUSK-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.10552769
Names & identifiers
- Preferred name
- Malonanilide
- IUPAC
- N,N'-diphenylpropanediamide
- English name
- MALONANILIDE
- Molecular formula
- C15H14N2O2
- Molecular weight
- 254.28
Names & synonyms
MalonanilideN,N'-DiphenylmalonamidePropanediamide, N,N'-diphenyl-Malonic dianilideMalonic acid dianilideMalondianilideMalonic acid diphenylamidePropanediamide, N1,N3-diphenyl-704WWD18ZONSC 2133NSC-2133EINECS 210-670-8
Show more names
AKOS B019776AURORA KA-4118MALONIC ACID, DIANILIDEN,N'-DIPHENYL-MALONAMIDEN,N'-Diphenyl-malonamidsN1,N3-DIPHENYLMALONAMIDE
NSC 631638NSC-631638UNII-704WWD18ZODTXSID0060729N1,N3-DIPHENYLPROPANEDIAMIDEMalonanilide (8CI)RefChem:155441DTXCID4043224
Database identifiers
- CAS
621-10-3- PubChem CID
- 69298
- DTXSID
DTXSID0060729- ChEMBL
CHEMBL342448- UNII
- 704WWD18ZO
- EC Number
- 210-670-8
- Nikkaji
- J96.095K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Solubility8.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- Off-white to gray Solid
- FDA UNII
- 704 WWD18ZO · 704WWD18ZO
- EPA Substance Registry System
- Propanediamide, N,N'-diphenyl- (621-10-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanediamide, N1,N3-diphenyl-: INACTIVE
Applications
UsesN,N''-Diphenylmalonamide is used to prepare anticonvulsans.
Related reactions
5 records
Compound notes
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