N,N'-ethylenebis(3-oxobutyramide)
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Basic information
- CAS
1471-94-9- Standard SMILES
CC(=O)CC(=O)NCCNC(=O)CC(C)=O- InChIKey
KLZDEEDOBAPARF-UHFFFAOYSA-N- Molecular formula
- C10H16N2O4
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.11100699
Names & identifiers
- Preferred name
- N,N'-ethylenebis(3-oxobutyramide)
- IUPAC
- 3-oxo-N-[2-(3-oxobutanoylamino)ethyl]butanamide
- English name
- Ethylenediamine-N,N'-bis-acetoacetamide
- Molecular formula
- C10H16N2O4
- Molecular weight
- 228.24
Names & synonyms
1471-94-9Butanamide, N,N'-1,2-ethanediylbis[3-oxo-Di-AcetoacetylethylenediamineEthylenediamine-N,N'-bis(acetoacetamide)EthylenediaminebisacetoacetamideN,N'-Bis(acetoacetyl)ethylenediamineAHQ9KBH6MUAcetoacetamide, N,N'-ethylenebis-Butanamide, N,N'-1,2-ethanediylbis(3-oxo-N,N'-Ethylenebis(3-oxobutyramide)EINECS 216-011-0NSC 71996
Show more names
bis(acetoacetamide)N,N'-ETHYLENE BISACETOACETAMIDEN,N'-Ethylenebis(3-oxobutanamide)N,N'-Ethylenebis-(3-oxobutyramide)n,n’-1,2-ethanediylbis[3-oxo-butanamidAcetoacetamide, N,N'-ethylenebis- (8CI)
NSC-71996DTXSID3061716DIACETOACETYLETHYLENEDIAMINEN,N'-ethylenebis[3-oxobutyramide]RefChem:821946DTXCID9034787Acetoacetamide, N,N'-ethylenebis-(8CI)216-011-0
Database identifiers
- CAS
1471-94-9- PubChem CID
- 73858
- DTXSID
DTXSID3061716- UNII
- AHQ9KBH6MU
- EC Number
- 216-011-0
- Nikkaji
- J56.053G
Properties
Computed structural propertiesFilling in
- XLogP
- -1.4
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 149 · 149-151°C
- InChI
- 1S/C10H16N2O4/c1-7(13)5-9(15)11-3-4-12-10(16)6-8(2)14/h3-6H2,1-2H3,(H,11,15)(H,12,16)
- InChIKey
- KLZDEEDOBAPARF-UHFFFAOYSA-N
- SMILES
- CC(=O)CC(=O)NCCNC(=O)CC(C)=O
- FDA UNII
- 9 KBH6MU · AHQ9KBH6MU
- EPA Substance Registry System
- -1 · Butanamide, N,N'-1,2-ethanediylbis[3-oxo- (1471-94-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2924199090 · 2924199090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Butanamide, N,N'-1,2-ethanediylbis[3-oxo-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2924199090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanamide, N,N'-1,2-ethanediylbis[3-oxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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