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Basic Information
CAS No.: 108-13-4
Name: Malonamide
Molecular Structure:
Molecular Structure of 108-13-4 (Malonamide)
Formula: C3H6N2O2
Molecular Weight: 102.093
Synonyms: Malonamide(6CI,8CI);Malondiamide;Malonic acid diamide;Malonic diamide;Malonodiamide;NSC 2134;Propanediamide;
EINECS: 203-553-8
Density: 1.281 g/cm3
Melting Point: 172-175 °C(lit.)
Boiling Point: 460.9 °C at 760 mmHg
Flash Point: 232.5 °C
Solubility: 180 g/L (20 °C) in water
Appearance: white crystalline powder
Safety: 22-24/25
PSA: 86.18000
LogP: -0.25230
Synthetic route
109-77-3

malononitrile

108-13-4

malonodiamide

Conditions
ConditionsYield
With Acetaldehyde oxime In methanol at 65℃; for 4h;98%
With manganese(IV) oxide; water In isopropyl alcohol at 100℃; under 5171.62 Torr; for 0.5h;98%
Stage #1: malononitrile With acetamide; acetic acid at 50℃; under 760.051 Torr; for 0.5h;
Stage #2: With tetrakis(acetonitrile)palladium(II) tetrafluoroborate at 50℃; under 1 - 3 Torr; for 2h;
43%
107-91-5

cyanoacetic acid amide

108-13-4

malonodiamide

Conditions
ConditionsYield
With sodium hydroxide91%
With Amberlyst A-26 (OH- form); dihydrogen peroxide In methanol at 20℃; for 4h; Hydrolysis;85%
With urea-hydrogen peroxide; potassium carbonate In water; acetone for 1.25h; Ambient temperature;
19411-83-7

2-benzylidenepropanediamide

41867-20-3

ethyl (E)-3-aminobut-2-enoate

A

108-13-4

malonodiamide

B

1165-06-6

Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

89434-90-2

3-carbamoyl-4-phenyl-5-ethoxycarbonyl-6-methyl-3,4-dihydropyridin-2-one

Conditions
ConditionsYield
In ethanol; acetic acid for 1h; Heating;A 34%
B 27%
C 13%
504-64-3

carbon suboxide

108-13-4

malonodiamide

Conditions
ConditionsYield
With diethyl ether; ammonia
With ammonia at 0℃;
With ammonia In diethyl ether temperatures below 0°C;;
7597-56-0

ethyl malonamate

108-13-4

malonodiamide

Conditions
ConditionsYield
With ammonia; ammonium chloride at 0℃;
6279-86-3

methanetricarboxylic acid triethyl ester

108-13-4

malonodiamide

Conditions
ConditionsYield
With ammonia
With ammonia In ethanol for 24h; Ambient temperature;
39000-70-9

methanetetracarboxylic acid tetraethyl ester

108-13-4

malonodiamide

Conditions
ConditionsYield
With ammonia
49597-05-9

propene-1,1,3,3-tetracarboxylic acid tetraethyl ester

A

108-13-4

malonodiamide

B

iminomethyl-malonic acid diethyl ester

Conditions
ConditionsYield
With ammonium hydroxide 14-taegiges Stehen;
10344-69-1

diethyl malonoimidate dihydrochloride

A

75-00-3

chloroethane

B

108-13-4

malonodiamide

Conditions
ConditionsYield
at 150 - 160℃;
108-59-8

malonic acid dimethyl ester

108-13-4

malonodiamide

Conditions
ConditionsYield
With ammonium hydroxide
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    Product name: Malonamide CAS No.:108-13-4 Molecule Formula:C3H6N2O2 Molecule Weight:102.09 Purity: 99.0% Package: 25kg/drum Description:White crystalline powder Manufacture Standards:Enterprise Standard TESTING ITEMS

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Chemistry

Molecular Structure of Malonamide (CAS NO. 108-13-4):

IUPAC Name: Propanediamide 
Product Categories: API intermediates
Molecular Formula: C3H6N2O2
Molecular Weight: 102.091940 g/mol
XLogP3-AA: -1.8
H-Bond Donor: 2
H-Bond Acceptor: 2
Canonical SMILES: C(C(=O)N)C(=O)N
InChI: InChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)
InChIKey: WRIRWRKPLXCTFD-UHFFFAOYSA-N
Surface Tension: 57.8 dyne/cm
Density: 1.281 g/ml
Flash Point: 232.5 °C
Enthalpy of Vaporization: 72.16 kJ/mol
Boiling Point: 460.9 °C at 760 mmHg
Vapour Pressure: 1.13E-08 mmHg at 25°C
Water Solubility: 180 g/L (20 oC)
Melting Point: 172-175 °C(lit.)
BRN: 1751401
EINECS: 203-553-8

Toxicity Data With Reference

1.    

orl-mus LD50:6000 mg/kg

    BIJOAK    Biochemical Journal. 34 (1940),1196.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety information of Malonamide(108-13-4):
Safety Statements: 22-24/25
S22: Do not breathe dust
S24/25:Avoid contact with skin and eyes
WGK Germany: 2
RTECS: ON9125000
HS Code: 29241900
Mildly toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Malonamide with cas registry number of 108-13-4 is stable under normal temperatures and pressures but incompatible with strong oxidizing agents, strong reducing agents, acids, bases. It is also known as AI3-24284 ; Carboxamidoacetamide ; Malondiamide ; Malonic acid diamide ; Malonic diamide ; Malonodiamide ; Malonyldiamide ; NSC 2134 ; Propanediamide . Malonamide is mainly used as raw material in organic synthesis.