Basic information
- CAS
3073-57-2- Standard SMILES
CC(=O)N(CCCCN)C(C)=O- InChIKey
SJRLWEMEJAYEHR-UHFFFAOYSA-N- Molecular formula
- C8H16N2O2
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.12117776
Names & identifiers
- Preferred name
- Diacetylputrescine
- IUPAC
- N-acetyl-N-(4-aminobutyl)acetamide
- English name
- diacetylputrescine
- Molecular formula
- C8H16N2O2
- Molecular weight
- 172.23
Names & synonyms
DiacetylputrescineTMBATetramethylenebisacetamideDTXSID40184752RefChem:132575DTXCID801072433073-57-2N-acetyl-N-(4-aminobutyl)acetamideSCHEMBL10448893SJRLWEMEJAYEHR-UHFFFAOYSA-NN-(4-acetamidobutyl)acetamideAcetamide, N,N'-1,4-butanediylbis-
Database identifiers
- CAS
3073-57-2- PubChem CID
- 145677
- DTXSID
DTXSID40184752
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 137 · 137-138.5 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 448.8 · 448.8±28.0 °C(Predicted)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- pka
- 16.13 · 16.13±0.46(Predicted)
Chemistry & industry
Suppliers1 total
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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