Basic information
- CAS
5463-16-1- Standard SMILES
CCCCCCCNC(=O)CBr- InChIKey
IKIDKUUEELNQKF-UHFFFAOYSA-N- Molecular formula
- C9H18BrNO
- Average molar mass
- 236.15 g/mol
- Monoisotopic mass
- 235.05718
Names & identifiers
- Preferred name
- 2-Bromo-n-heptylacetamide
- IUPAC
- 2-bromo-N-heptylacetamide
- English name
- 2-Bromo-N-heptylacetamide
- Molecular formula
- C9H18BrNO
- Molecular weight
- 236.15
Names & synonyms
2-bromo-n-heptylacetamide5463-16-1NSC15101Bromacetamide, N-heptyl-SCHEMBL6281759DTXSID30280015AR-1I8918NSC-15101AKOS005348399N-heptylbromoacetamideAcetamide, 2-bromo-N-heptyl-
Database identifiers
- CAS
5463-16-1- PubChem CID
- 225552
- DTXSID
DTXSID30280015
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Melting point
- 20 °C · 20 °C (approx)
- Boiling point
- 110 °C · 110 °C(Press: 0.25 Torr)
- Density
- 1.2357 g/cm3 · 1.2357 g/cm3
- pka
- 14.07 · 14.07±0.46(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
5 records
Compound notes
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