Basic information
- CAS
762-84-5- Standard SMILES
CC(=O)NC(C)(C)C- InChIKey
ACYFWRHALJTSCF-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- N-tert-Butylacetamide
- IUPAC
- N-tert-butylacetamide
- English name
- N-tert-Butylacetamide
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
N-tert-Butylacetamide762-84-5Acetamide, N-(1,1-dimethylethyl)-N-t-Butylacetamidetert-ButylacetamideCH3C(O)NHC(CH3)3UNII-G3N1629KEMNSC 131312G3N1629KEMn-(1,1-dimethylethyl)acetamideNSC-131312ACETAMIDE, N-TERT-BUTYL-
Show more names
TIMTEC-BB SBB008192N-tert-butylethanamideN-(1-Hydroxyethylidene)-tert-butylamine
DTXSID702270602-ACETAMIDO-2-METHYLPROPANERefChem:164244DTXCID70149551ACYFWRHALJTSCF-UHFFFAOYSA-NInChI=1/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8N-(tert-Butyl)acetamideMFCD00038244
Database identifiers
- CAS
762-84-5- PubChem CID
- 12985
- DTXSID
DTXSID70227060- UNII
- G3N1629KEM
- Nikkaji
- J338.537J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 91.2
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 96 · 96-98°C
- Boiling point
- 194 °C · 194 °C
- Density
- 0.862 · 0.862±0.06 g/cm3(Predicted)
- pka
- 16.6 · 16.60±0.46(Predicted)
- Water Solubility
- Soluble in water.
- BRN
- 1699507 · 1699507
- FDA UNII
- 3 N1629KEM · G3N1629KEM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesIt finds its application in the synthesis of amides using the Ritter reaction with bismuth triflate catalysis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers36 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
绍兴恒创合益生物科技有限公司15158234258 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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