Basic information
- CAS
28446-58-4- Standard SMILES
C=CCC(N)=O- InChIKey
ABBZJHFBQXYTLU-UHFFFAOYSA-N- Molecular formula
- C4H7NO
- Average molar mass
- 85.1 g/mol
- Monoisotopic mass
- 85.05276384
Names & identifiers
- Preferred name
- 3-Butenamide
- IUPAC
- but-3-enamide
- English name
- 3-Butenamide
- Molecular formula
- C4H7NO
- Molecular weight
- 85.1
Names & synonyms
3-Butenamide28446-58-4DTXSID80337280RefChem:277877DTXCID20288368ABBZJHFBQXYTLU-UHFFFAOYSA-Nbut-3-enamideBut-3-EnamidAllylamideMFCD04039453432491-67-3Allylamide; Vinylacetamide;
Show more names
But-3-enamide (stabilised)SCHEMBL22988SCHEMBL27631SCHEMBL177956SCHEMBL294009SCHEMBL1916605SCHEMBL10108199AKOS006292914
Database identifiers
- CAS
28446-58-4- PubChem CID
- 541483
- DTXSID
DTXSID80337280- Nikkaji
- J376.896A
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 67.9
Physicochemical properties
- Melting point
- 66 · 66-68°C
- Boiling point
- 77 · 77-78 °C(Press: 9 Torr)
- Density
- 0.8985 g/cm3 · 0.8985 g/cm3
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 16.26 · 16.26±0.40(Predicted)
- color
- White to Off-White
Chemistry & industry
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
含山捷化生物科技有限公司0555-18055517827 18055517827 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
广州市震霖医药科技有限公司18102736234 · [email protected]
Related reactions
2 records
Compound notes
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