Basic information
- CAS
20575-74-0- Standard SMILES
Cc1ccc(NC(=O)N2CCCCC2)cc1NC(=O)N1CCCCC1- InChIKey
PPWYBOCLKAIBDX-UHFFFAOYSA-N- Molecular formula
- C19H28N4O2
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.22122615
Names & identifiers
- Preferred name
- N,N'-(4-Methyl-1,3-phenylene)bis(1-piperidinecarboxamide)
- IUPAC
- N-[4-methyl-3-(piperidine-1-carbonylamino)phenyl]piperidine-1-carboxamide
- English name
- N,N'-(4-Methyl-1,3-phenylene)bis(1-piperidinecarboxamide)
- Molecular formula
- C19H28N4O2
- Molecular weight
- 344.45
Names & synonyms
N,N'-(4-METHYL-1,3-PHENYLENE)BIS(1-PIPERIDINECARBOXAMIDE)RefChem:821645653-306-720575-74-0MLS000757130NSC375982CHEMBL1888928DTXSID70942766HMS2884F11AKOS024334169NSC-375982SMR000529011
Show more names
N,N'-(4-Methyl-1,3-phenylene)di(piperidine-1-carboximidic acid)
Database identifiers
- CAS
20575-74-0- PubChem CID
- 341869
- DTXSID
DTXSID70942766- ChEMBL
CHEMBL1888928- EC Number
- 653-306-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 217 · 217-218 °C(Solv: 1,4-dioxane (123-91-1); water (7732-18-5))
- Boiling point
- 605.4 · 605.4±55.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 14.06 · 14.06±0.70(Predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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