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Basic information
- CAS
692-33-1- Standard SMILES
C=CCNC(C)=O- InChIKey
DVQCXAUFUOFSDW-UHFFFAOYSA-N- Molecular formula
- C5H9NO
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Names & identifiers
- Preferred name
- N-Allylacetamide
- IUPAC
- N-prop-2-enylacetamide
- English name
- N-allylacetamide
- Molecular formula
- C5H9NO
- Molecular weight
- 99.13
Names & synonyms
N-AllylacetamideAcetamide, N-allyl-UNII-PJT0M8Y9MOPJT0M8Y9MOn-acetylallylamineEINECS 211-729-0NSC-53475AI3-23271DTXSID60219232NSC 53475ACETAMIDE, N-2-PROPEN-1-YL-RefChem:162844
Show more names
N-(2-Propenyl)acetamideCyclopropylamine Impurity 1N-(propylene - 2-ene-1-yl) vinegar
DTXCID80141723211-729-0DVQCXAUFUOFSDW-UHFFFAOYSA-N692-33-1N-(prop-2-en-1-yl)acetamideAcetamide, N-2-propenyl-N-prop-2-enylacetamideAcetamide,N-2-propen-1-yl-
Database identifiers
- CAS
692-33-1- PubChem CID
- 69653
- DTXSID
DTXSID60219232- UNII
- PJT0M8Y9MO
- EC Number
- 211-729-0
- Nikkaji
- J206.007H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 78
Physicochemical properties
- Melting point
- 64 · 64-65 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 97 · 97-102 °C(Press: 14 Torr)
- Density
- 1.4582 g/cm3 · 1.4582 g/cm3(Temp: 23 °C)
- form
- solid
- pka
- 16.17 · 16.17±0.46(Predicted)
- InChI
- 1S/C5H9NO/c1-3-4-6-5(2)7/h3H,1,4H2,2H3,(H,6,7)
- InChIKey
- DVQCXAUFUOFSDW-UHFFFAOYSA-N
- SMILES
- O=C(C)NCC=C
- FDA UNII
- 0 M8Y9MO · PJT0M8Y9MO
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- 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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
4 records
Compound notes
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