Basic information
- CAS
108-13-4- Standard SMILES
NC(=O)CC(N)=O- InChIKey
WRIRWRKPLXCTFD-UHFFFAOYSA-N- Molecular formula
- C3H6N2O2
- Average molar mass
- 102.09 g/mol
- Monoisotopic mass
- 102.04292743
Overview
Malonamide is a dicarboxylic acid diamide that is malonic acid in which both carboxy groups have been replaced by carbamoyl groups. It is functionally related to a malonic acid.
Names & identifiers
- Preferred name
- Malonamide
- IUPAC
- propanediamide
- English name
- Malonamide
- Molecular formula
- C3H6N2O2
- Molecular weight
- 102.09
Names & synonyms
MALONAMIDEPropanediamide108-13-4MalonodiamideMalondiamideMalonyldiamideMalonic acid diamideCarboxamidoacetamideMalonic diamideQVQ8CNG255NSC-2134DTXSID1040116
Show more names
NSC 2134Malonamide>AURORA KA-4099malonicdiamideMalonamide 98%
CHEBI:48537RefChem:155440DTXCID9020116203-553-8MFCD00008034MalonamidMalonamide, 97%Milrinone Impurity L
Database identifiers
- CAS
108-13-4- PubChem CID
- 7911
- DTXSID
DTXSID1040116- ChEBI
CHEBI:48537- UNII
- QVQ8CNG255
- EC Number
- 203-553-8
- Nikkaji
- J2.415E
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 87.1
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Amides, Other
SpringerMaterials PropertiesCrystal structure
Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 172 · 172-175 °C (lit.)
- Boiling point
- 191.38 °C · 191.38°C (rough estimate)
- Density
- 1.3516 · 1.3516 (rough estimate)
- refractive index
- 1.511 · 1.5110 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in HCl.
- pka
- 7 · 7.00±0.70(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- 180 g/L · 180 g/L (20 ºC)
- BRN
- 1751401 · 1751401
- InChI
- InChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)
- InChIKey
- WRIRWRKPLXCTFD-UHFFFAOYSA-N
- SMILES
- C(N)(=O)CC(N)=O
- CAS DataBase Reference
- 108 · 108-13-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 CNG255 · QVQ8CNG255
- NIST Chemistry Reference
- Propanediamide(108-13-4)
- EPA Substance Registry System
- Propanediamide (108-13-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 2 · 2
- RTECS
- 9125000 · ON9125000
- TSCA
- TSCA listed
- HS Code
- 29241900 · 29241900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Propanediamide
Propanediamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See n-Butylamide and Succinamide.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- ON9125000
- hs_code
- 29241900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanediamide: ACTIVE
Applications
DescriptionMalonamide is a dicarboxylic acid diamide that is malonic acid in which both carboxy groups have been replaced by carbamoyl groups. It is functionally related to a malonic acid.
UsesMalonamide is a reagent for fluorimetric determination of reducing carbohydrates. The malonamide-based ionic liquid extractant was used in the extraction of europium(iii) and other trivalent rare earth elements from nitric acid medium.
UsesThe malonamide-based ionic liquid extractant was used in the extraction of europium(iii) and other trivalent rare-earth ions from nitric acid medium.
UsesMalonamide is used in the synthesis of malonamic acid, malonamate and malonamide derivative of some heterocyclic compounds with antiinflammatory activity.
General DescriptionThe malonamide derivatives are obtained by the one-pot, five-component condensation reaction of isocyanide, Meldrum′s acid, arylidene malononitrile, and two amine molecules in CH2Cl2.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: Malonamide is a dicarboxylic acid diamide that is malonic acid in which both carboxy groups have been replaced by carbamoyl groups. It is functionally related to a malonic acid.
Related reactions
21 records
Compound notes
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