Basic information
- CAS
1189-05-5- Standard SMILES
CCC(C)NC(C)=O- InChIKey
FILVHGGOUFZULB-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- N-sec-Butylacetamide
- IUPAC
- N-butan-2-ylacetamide
- English name
- N-(1-Methylpropyl)acetamide
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
N-sec-Butylacetamide1189-05-5V5CH7JSC3QNSC-406181RefChem:1092098N-(1-Methylpropyl)acetamideN-butan-2-ylacetamideN-(butan-2-yl)acetamideAcetamide, N-(1-methylpropyl)-Acetamide, N-sec-butyl-UNII-V5CH7JSC3Qn-(sec-butyl)acetamide
Show more names
N-s-butyl-acetamideNSC406181N-sec-butyl-acetamidebutane, 2-acetamido-NCIOpen2_003651SCHEMBL50404SCHEMBL498535SCHEMBL6218251
Database identifiers
- CAS
1189-05-5- PubChem CID
- 347477
- DTXSID
DTXSID90324267- UNII
- V5CH7JSC3Q
- Nikkaji
- J47.036H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.6
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Boiling point
- 114 · 114-115 °C(Press: 14 Torr)
- Density
- 0.86 · 0.860±0.06 g/cm3(Predicted)
- pka
- 16.63 · 16.63±0.46(Predicted)
- FDA UNII
- 5 CH7JSC3Q · V5CH7JSC3Q
- 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 & 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
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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