Diisopropylacetamide
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Basic information
- CAS
5440-65-3- Standard SMILES
CC(C)C(C(N)=O)C(C)C- InChIKey
UMJPVWFIBILILQ-UHFFFAOYSA-N- Molecular formula
- C8H17NO
- Average molar mass
- 143.23 g/mol
- Monoisotopic mass
- 143.13101417
Names & identifiers
- Preferred name
- Diisopropylacetamide
- IUPAC
- 3-methyl-2-propan-2-ylbutanamide
- English name
- 3-methyl-2-propan-2-yl-butanamide
- Molecular formula
- C8H17NO
- Molecular weight
- 143.23
Names & synonyms
Diisopropylacetamide5440-65-3DTXSID70281187RefChem:338306DTXCID20232341UMJPVWFIBILILQ-UHFFFAOYSA-N2-Isopropyl-3-methylbutanamide3-methyl-2-(propan-2-yl)butanamide3-methyl-2-propan-2-ylbutanamideNSC20690diisopropyl acetamideButanamide,3-methyl-2-(1-methylethyl)-
Show more names
3-methyl-2-propan-2-yl-butanamideButanamide, 3-methyl-2-(1-methylethyl)-
SCHEMBL82496CHEMBL240174SCHEMBL4319079SCHEMBL275137222-Isopropyl-3-methylbutanamide #NAA16403NSC-20690AKOS006337439
Database identifiers
- CAS
5440-65-3- PubChem CID
- 228084
- DTXSID
DTXSID70281187- ChEMBL
CHEMBL240174- Nikkaji
- J1.307.411I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 149 °C · 149 °C
- Boiling point
- 261.35 °C · 261.35°C (rough estimate)
- Density
- 0.9636 · 0.9636 (rough estimate)
- refractive index
- 1.4614 · 1.4614 (estimate)
- pka
- 16.85 · 16.85±0.50(Predicted)
- Water Solubility
- 4.3 g/L · 4.3g/L(temperature not stated)
Related reactions
1 records
Compound notes
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