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CAS 58069-82-2 UREA-13C molecular structure lightbox
CAS RN: 58069-82-2

UREA-13C

  • Product code: SSC-166269
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 58069-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

58069-82-2 / urea

Standard CAS: 58069-82-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
58069-82-2
Multi CAS
Yes
Molecular Formula
CH4N2O
Molecular Weight
60.056000
Exact Mass
60.032363
InChI
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1
InChIKey
XSQUKJJJFZCRTK-OUBTZVSYSA-N

Physical Properties

Melting Point
275 °F (NTP, 1992) 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
Boiling Point
Decomposes (NTP, 1992) Decomposes
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
Physical Description
Urea appears as solid odorless white crystals or pellets. Density 1.335 g /cc. Noncombustible. Pellets or Large Crystals; Pellets or Large Crystals, Liquid; Dry Powder, Pellets or Large Crystals; Dry Powder, Liquid; Pellets or Large Crystals, Liquid, Other Solid; NKRA; Liquid, Other Solid; Other Solid; Water or Solvent Wet Solid; Dry Powder; Liquid Colourless to white, prismatic, crystalline powder or small, white pellets White solid with a characteristic odor; [ICSC] Solid
Appearance
White crystals or powder Tetragonal prisms
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
4
H-bond acceptors
1
H-bond donors
2
Molar refractivity
13.77
TPSA
69.11

LogP / Solubility

WLOGP
-0.98
MLOGP
-0.88
XLogP3
-1.4
Consensus LogP
-1.09
Log S (ESOL)
0.4
Class (ESOL)
Highly soluble
Log S (Ali)
0.65
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.76
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

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