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Malonamide

CAT: 0286-M01180-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-M01180-01Size:100 g
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CAS Number
108-13-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008034
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Malonamide

Malonamide is a dicarboxylic acid diamide that is malonic acid in which both carboxy groups have been replaced by carbamoyl groups.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.

CAS Number108-13-4
PubChem CID7911
IUPAC Namepropanediamide
Molecular FormulaC3H6N2O2
Molecular Weight102.09
XLogP-1.8
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity87
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
Chemical Structure
2D Structure
2D structure of Malonamide
CAS: 108-13-4
CID: 7911
Formula: C3H6N2O2
MW: 102.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight102.09
XLogP3-1.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass102.042927438
Monoisotopic Mass102.042927438
Topological Polar Surface Area86.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity87.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes