Basic information
- CAS
122348-67-8- Standard SMILES
CCCC(=O)NC(C)C- InChIKey
KKWNADDVIBLENW-UHFFFAOYSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Names & identifiers
- Preferred name
- N-Isopropylbutyramide
- IUPAC
- N-propan-2-ylbutanamide
- English name
- Butanamide, N-(1-methylethyl)-
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2
Names & synonyms
N-Isopropylbutyramide122348-67-8DTXSID00336033RefChem:1091849DTXCID50287122Butanamide, N-(1-methylethyl)-N-propan-2-ylbutanamideN-(propan-2-yl)butanamideButanamide, N-isopropylN-ISOPROPYLBUTANAMIDEN-(methylethyl)butanamideSCHEMBL827836
Show more names
N-(1-Methylethyl)butanamide
SCHEMBL6300919SCHEMBL7309747SCHEMBL7343969SCHEMBL9724504KKWNADDVIBLENW-UHFFFAOYSA-NMFCD01349261STL261294AKOS000503634
Database identifiers
- CAS
122348-67-8- PubChem CID
- 528607
- DTXSID
DTXSID00336033
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.9
Physicochemical properties
- Boiling point
- 217.1 ℃ · 217.1℃
- Density
- 0.859 · 0.859
- Flash point
- 116.4 ℃ · 116.4℃
- pka
- 16.31 · 16.31±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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