1,3-Dimethylurea, 98%

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Catalog Number
ACM96311
Product Name
1,3-Dimethylurea, 98%
Structure
Structure
CAS
96-31-1
Category
Heterocyclic Organic Compound
Synonyms
AN-24343; MFCD00008286 (95+%); MGJKQDOBUOMPEZ-UHFFFAOYSA-N; EINECS 202-498-7; CJ-05979; N,N'-Dimethylharnstoff [German]; 1,3- paragraph signthorn(1/4)x>>uea; 1,3-Dimethylurea, 98%; CHEMBL1234380; TR-038605;
IUPAC Name
1,3-dimethylurea;
Molecular Weight
88.11g/mol
Molecular Formula
(CH3NH)2CO;C3H8N2O;
Canonical SMILES
CNC(=O)NC;
InChI
InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6);
InChI Key
MGJKQDOBUOMPEZ-UHFFFAOYSA-N;
Melting Point
226 ° F (NTP, 1992);108.0°C;108 DEG C;102-107 °C;
Density
1.142 (NTP, 1992);1.142;1.1 g/cm³;
Solubility
greater than or equal to 100 mg/mL at 70° F (NTP, 1992);VERY SOL IN WATER & ALCOHOL;INSOL IN ETHER;Solubility in water, g/100ml at 21.5 °C: 76.5 (good);
Storage
Store at RT.
Color/Form
RHOMBIC BIPYRAMIDAL CRYSTALS FROM CHLOROFORM-ETHER;COLORLESS PRISMS;
Complexity
46.8
Covalently-Bonded Unit Count
1
EC Number
202-498-7
Exact Mass
88.064g/mol
H-Bond Acceptor
1
H-Bond Donor
2
Heavy Atom Count
6
ICSC Number
1745
Monoisotopic Mass
88.064g/mol
NSC Number
24823
Octanol Water Partition Coefficient
-0.49 (LogP);-0.78;
Physical Description
N,N'-DIMETHYLUREA is a colorless crystals. (NTP, 1992);OtherSolid; PelletsLargeCrystals;Solid;COLOURLESS-TO-WHITE CRYSTALLINE POWDER.;
Topological Polar Surface Area
41.1A^2
UNII
WAM6DR9I4X
Vapor Pressure
Vapor pressure, Pa at 20 °C: 0.042;
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