Basic information
- CAS
95331-76-3- Standard SMILES
CC(C)CNC(=O)CBr- InChIKey
CYAVQYCNDWTSGQ-UHFFFAOYSA-N- Molecular formula
- C6H12BrNO
- Average molar mass
- 194.07 g/mol
- Monoisotopic mass
- 193.01023
Names & identifiers
- Preferred name
- 2-Bromo-N-isobutylacetamide
- IUPAC
- 2-bromo-N-(2-methylpropyl)acetamide
- English name
- 2-Bromo-N-isobutylacetamide
- Molecular formula
- C6H12BrNO
- Molecular weight
- 194.07
Names & synonyms
2-Bromo-N-isobutylacetamide95331-76-3DTXSID50289085RefChem:257606DTXCID902402312-bromo-N-(2-methylpropyl)acetamideAcetamide, 2-bromo-N-(2-methylpropyl)-NSC589472-bromo-N-isobutyl-acetamideSCHEMBL12221862ALBB-011966MFCD10686559
Show more names
2-bromo-N-(2-methylpropyl)ethanamide2-bromo-N-isobutylacetamide(SALTDATA: FREE)
NSC-58947AKOS005173368BS-36364E85569F3105352-Bromo-N-isobutylacetamide, 2-bromo-N-(2-methylpropyl)acetamide, 95331-76-3, Acetamide, 2-bromo-N-(2-methylpropyl)-, NSC58947, ACMC-20lzo0, AC1L6HOQ, CTK3G8928, NSC-58947, SBB051010, ZINC01689454, AKOS005173368, AG-K-70596, FT-0683419, I14-26312
Database identifiers
- CAS
95331-76-3- PubChem CID
- 246263
- DTXSID
DTXSID50289085- Nikkaji
- J465.476E
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 93.1
Physicochemical properties
- Melting point
- 37 · 37-40 °C
- Boiling point
- 99 °C · 99 °C(Press: 0.3 Torr)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- pka
- 14.03 · 14.03±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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