n,n'-Dibenzylmalonamide
Basic information
- CAS
10255-99-9- Standard SMILES
O=C(CC(=O)NCc1ccccc1)NCc1ccccc1- InChIKey
RHHVWHPMKFVUGF-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.13682782
Names & identifiers
- Preferred name
- n,n'-Dibenzylmalonamide
- IUPAC
- N,N'-dibenzylpropanediamide
- English name
- N,N''-Dibenzyl-malonamide
- Molecular formula
- C17H18N2O2
- Molecular weight
- 282.34
Names & synonyms
10255-99-9n,n'-dibenzylmalonamideDTXSID00352753RefChem:358460DTXCID70303818N,N'-dibenzylpropanediamideN,N'-Dibenzyl-malonamideN1,N3-dibenzylmalonamidePropanediamide, N1,N3-bis(phenylmethyl)-N,N/'/'-DIBENZYL-MALONAMIDECBMicro_020209N,N'- Dibenzyl-malonamid
Show more names
N,N′-Dibenzyl-malonamide, CAS 10255-99-9
Oprea1_787259MLS001174231orb3022498SCHEMBL3087061N~1~,N~3~-dibenzylmalonamideCHEMBL1565331TPL0576N,N''-DIBENZYL-MALONAMIDE
Database identifiers
- CAS
10255-99-9- PubChem CID
- 735256
- DTXSID
DTXSID00352753- ChEMBL
CHEMBL1565331- EC Number
- 175-463-6
- Nikkaji
- J2.683.540B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 300
Experimental & physicochemical properties
Solubility>42.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 142 °C · 142 °C
- Boiling point
- 595.3 · 595.3±50.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 8.29 · 8.29±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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