N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
Basic information
- CAS
554404-47-6- Standard SMILES
COc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(Cl)ccc1OC- InChIKey
RLYMXOOGAFQPJB-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2N2O4
- Average molar mass
- 383.2 g/mol
- Monoisotopic mass
- 382.0487124
Names & identifiers
- Preferred name
- N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
- IUPAC
- N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
- English name
- Propanediamide, N1,N3-bis(5-chloro-2-methoxyphenyl)-
- Molecular formula
- C17H16Cl2N2O4
- Molecular weight
- 383.23
Names & synonyms
N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide554404-47-6N,N'-Bis-(5-chloro-2-methoxy-phenyl)-malonamideMLS001166704SCHEMBL2011023CHEMBL1352276HMS2918F23EXA40447AKOS000115183SMR000594911CS-0218590EN300-01442
Show more names
Propanediamide, N1,N3-bis(5-chloro-2-methoxyphenyl)-
G35221N,N'-bis(5-chloro-2-methoxy-phenyl)propanediamideZ56887782
Database identifiers
- CAS
554404-47-6- PubChem CID
- 2386166
- ChEMBL
CHEMBL1352276- EC Number
- 127-506-5
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Boiling point
- 580.5 · 580.5±50.0 °C(Predicted)
- Density
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- pka
- -0.03 · -0.03±0.50(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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Suppliers
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Related reactions
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Compound notes
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