Basic information
- CAS
5459-42-7- Standard SMILES
CC(=O)NC(C)(C)CC(C)(C)C- InChIKey
NXQYSOPMKXVSTC-UHFFFAOYSA-N- Molecular formula
- C10H21NO
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.16231429
Names & identifiers
- Preferred name
- N-1,1,3,3-Tetramethylbutylacetamide
- IUPAC
- N-(2,4,4-trimethylpentan-2-yl)acetamide
- English name
- N-(2,4,4-trimethylpentan-2-yl)acetamide
- Molecular formula
- C10H21NO
- Molecular weight
- 171.28
Names & synonyms
N-(1,1,3,3-Tetramethylbutyl)acetamide5459-42-7ACETAMIDE, N-(1,1,3,3-TETRAMETHYLBUTYL)-2K33JW1II8NSC-24266NSC-48135N-1,1,3,3-TetramethylbutylacetamideDTXSID70203021RefChem:1091485DTXCID70125512N-(2,4,4-trimethylpentan-2-yl)acetamideNSC 24266
Show more names
NSC 48135BRN 1756653UNII-2K33JW1II8SCHEMBL7080075NXQYSOPMKXVSTC-UHFFFAOYSA-NNSC24266NSC48135AKOS003352202
Database identifiers
- CAS
5459-42-7- PubChem CID
- 21608
- DTXSID
DTXSID70203021- UNII
- 2K33JW1II8
- Nikkaji
- J73.513B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 240 °C · 240 °C
- Density
- 0.857 · 0.857±0.06 g/cm3(Predicted)
- pka
- 16.59 · 16.59±0.46(Predicted)
- FDA UNII
- 2 K33JW1II8 · 2K33JW1II8
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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