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| CAS No.: | 5977-14-0 |
|---|---|
| Name: | Acetoacetamide |
| Article Data: | 24 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H7NO2 |
| Molecular Weight: | 101.105 |
| Synonyms: | Acetoacetamide(6CI,7CI,8CI);3-Oxobutanamide;3-Oxobutyramide;Acetoacetic acid amide;Acetylacetamide;NSC 632231;a-Acetylacetamide; |
| EINECS: | 227-774-4 |
| Density: | 1.093 g/cm3 |
| Melting Point: | 53-56 °C(lit.) |
| Boiling Point: | 271 °C at 760 mmHg |
| Flash Point: | 80.6 °C |
| Solubility: | 1000g/L at 20℃ |
| Appearance: | White to yellowish crystals |
| PSA: | 60.16000 |
| LogP: | 0.15110 |
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| Conditions | Yield |
|---|---|
| With ammonia In 1,4-dioxane at 30℃; for 24h; Candida antarctica lipase; | 59% |
| With ammonia In 1,4-dioxane at 30℃; for 24h; immobilized lipase from Candida antarctica SP 435A; | 59% |
| With ammonia |
A
- 5977-14-0
acetoacetamido
| Conditions | Yield |
|---|---|
| With oxygen; toluene-4-sulfonic acid In benzene at 60℃; for 24h; | A n/a B 48% |
- 15506-53-3
cyclobutane-1,3-dione
- 5977-14-0
acetoacetamido
| Conditions | Yield |
|---|---|
| With ammonia at -15 - -10℃; |
| Conditions | Yield |
|---|---|
| With ammonia |
| Conditions | Yield |
|---|---|
| With ammonia In diethyl ether | |
| With ammonium hydroxide for 5h; Yield given; | |
| With ammonia |
| Conditions | Yield |
|---|---|
| With ammonia In diethyl ether |
- 120166-77-0
3-hydroxy 2-buteneamide
- 5977-14-0
acetoacetamido
| Conditions | Yield |
|---|---|
| In water at 25℃; Equilibrium constant; |
- 5977-14-0
acetoacetamido
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 25℃; Rate constant; also in the presence of various buffers; |
- 5977-14-0
acetoacetamido
| Conditions | Yield |
|---|---|
| With perchloric acid; sodium perchlorate In water at 25℃; Rate constant; also in ethanol/water; |
| Conditions | Yield |
|---|---|
| With water; hydroxide Mechanism; |
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Chemistry
Product Name: Acetoacetamide (CAS NO.5977-14-0)
Molecular Formula: C4H7NO2
Molecular Weight: 101.1g/mol
Mol File: 5977-14-0.mol
EINECS: 227-774-4
Melting Point: 53-56 °C(lit.)
Boiling point: 271 °C at 760 mmHg
Flash Point: 80.6 °C
Density: 1.093 g/cm3
Surface Tension: 38.5 dyne/cm
Enthalpy of Vaporization: 50.93 kJ/mol
Vapour Pressure: 0.0066 mmHg at 25°C
XLogP3-AA: -1
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Acetoacetamide (CAS NO.5977-14-0):
IUPAC Name: 3-oxobutanamide
Canonical SMILES: CC(=O)CC(=O)N
InChI: InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)
InChIKey: GCPWJFKTWGFEHH-UHFFFAOYSA-N
Product Categories: Pharmaceutical Intermediates; Amides; Carbonyl Compounds; Organic Building Blocks
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | oral | > 500mg/kg (500mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS | National Technical Information Service. Vol. OTS0544866, |
Safety Profile
Safety Information of Acetoacetamide (CAS NO.5977-14-0):
WGK Germany: 1
RTECS: EJ3667188
Specification
Acetoacetamide , its CAS NO. is 5977-14-0, the synonyms are 3-Oxobutanamide ; Acetoacetic acid amide ; NSC 632231 ; Butanamide, 3-oxo- .