Basic information
- CAS
67942-22-7- Standard SMILES
O=C(CC(=O)NCCc1ccccc1)NCCc1ccccc1- InChIKey
RUHYVHRJAHLOLR-UHFFFAOYSA-N- Molecular formula
- C19H22N2O2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.16812795
Names & identifiers
- Preferred name
- N,N'-Diphenethyl-malonamide
- IUPAC
- N,N'-bis(2-phenylethyl)propanediamide
- English name
- N,N''-Diphenethyl-malonamide
- Molecular formula
- C19H22N2O2
- Molecular weight
- 310.39
Names & synonyms
67942-22-7N,N'-Diphenethyl-malonamideDTXSID80368534RefChem:358502DTXCID90319572N,N'-bis(2-phenylethyl)propanediamideN1,N3-DiphenethylmalonamidePropanediamide,N1,N3-bis(2-phenylethyl)-MLS001174235CHEMBL1724625HMS2911J07SCA94222
Show more names
Propanediamide, N1,N3-bis(2-phenylethyl)-N,N′-Diphenethyl-malonamide, CAS 67942-22-7
AKOS000115142SMR000594723EN300-01355N~1~,N~3~-Bis(2-phenylethyl)propanediamideG35673Z56896278
Database identifiers
- CAS
67942-22-7- PubChem CID
- 2404841
- DTXSID
DTXSID80368534- ChEMBL
CHEMBL1724625- EC Number
- 139-600-3
- Nikkaji
- J1.406.496F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 324
Experimental & physicochemical properties
Solubility>46.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 131 · 131-132 °C(Solv: water (7732-18-5))
- Boiling point
- 607.4 · 607.4±55.0 °C(Predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- pka
- 8.36 · 8.36±0.70(Predicted)
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%)
Chemistry & industry
Suppliers1 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…