Urea
CH4N2O, 60.056 g/mol. Its structure, the values that were measured, the values that were calculated, and where each one came from.
Identifiers
- Molecular formula
- CH₄N₂O
- Molecular weight
- 60.056 g/mol
- Exact mass
- 60.032363 g/mol
- NC(N)=O
- InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
- XSQUKJJJFZCRTK-UHFFFAOYSA-N
Measured properties
Values somebody obtained from a sample and published. Where two sources report the same property they are both shown, in the units each used — a disagreement between them is information, and averaging it away would be inventing a number neither one gave.
- Boiling Point
- Decomposes (NTP, 1992)
- Decomposes
- Melting Point
- 275 °F (NTP, 1992)
- 132.7 °C
- 132 °C to 135 °C
- 132.70 °C
- Ionization potential = 9 eV; Latent heat of fusion = 15.4 kJ/mol (at melting point); Latent heat of sublimation = 87.9 kJ/mol @ 25 °C; Heat of formation = -333.7 kJ/mol @ 25 °C; Decomposition temp = 135 °C
- 132 °C
- 132.7-135 °C
- 132.7 °C
- Solubility
- Soluble (NTP, 1992)
- 545000 mg/L (at 25 °C)
- Very soluble in water; Soluble in ethanol
- 10 ml 95% alc, 6 ml methanol, 1 ml boiling 95% alc, 20 ml abs alc, 2 ml glycerol; almost insol in chloroform, ether; sol in concn HCl
- INSOL IN BENZENE; SOL IN ACETIC ACID
- Sol in pyrimidine
- In water, 5.45X10+5 mg/l @ 25 °C
- 545.0 mg/mL
- Solubility in water: miscible
- >9 [ug/mL] (The mean of the results at pH 7.4)
- Density
- 1.34 at 68 °F (USCG, 1999) - Denser than water; will sink
- 1.3230 @ 20 °C/4 °C
- On further heating it decomp to biuret, NH3, cyanuric acid; pH of 10% water soln: 7.2; density of water soln (wt/wt): 1.027 @ 10%; 1.054 @ 20%; 1.145 @ 50%
- g/cm³
- 1.335 @25 °C
- Vapor Pressure
- 0.000012 [mmHg]
- 1.2X10-5 mm Hg @ 25 °C
- LogP
- -2.11
- log Kow = -2.11
- -2.11
- -3.00/-1.54
- -1.54
- Viscosity
- 1.78 mPa-s (46% solution @ 20 °C); 1.81 mP-s @ 137 °C; 1.90 mPa-s (saturated solution @ 20 °C)
Calculated properties
Derived from the structure rather than from a sample. These are reproducible and they are not measurements: a calculated partition coefficient and a measured one can differ by a long way, and where both exist they are listed apart on purpose.
- logP
- -0.9762
- Topological polar surface area
- 69.11 Ų
- H-bond donors
- 2
- H-bond acceptors
- 1
- Rotatable bonds
- 0
- Molar refractivity
- 13.7708 cm³/mol
- Fraction sp³ carbons
- 0
- QED drug-likeness
- 0.3705
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 4
- Total atoms, hydrogen included
- 8
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Amide
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The sources also call it carbamide, Carbonyldiamide, Ureophil, Carbonyldiamine, Ureaphil, Keratinamin, Urevert, Alphadrate, Aquadrate, Carbaderm, Pastaron, Urepearl.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Urea. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
Where these values came from
chemistry engine
What this page does not claim
The identifiers are what the source record holds, copied rather than recomputed. Measured values are reported as their source gave them, units and all; calculated values are marked as calculated and are not measurements. Where a field is absent the page says so, because a blank cell reads as a zero and a guessed value reads as a fact.
Nothing here is a hazard assessment, a purity statement or advice about handling a sample. A flash point quoted from a safety database is a number somebody published, not a judgement by us about whether this molecule is safe for what you intend.