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Dibutylurea

CAT: 0931-T0554-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T0554-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1792-17-2
Target
Others
Related Pathways
Others
Purity
0.9988
Bioactivity
Dibutylurea is used as pharmaceutical intermediates.
Smiles
CCCCNC(=O)NCCCC
Molecular Formula
C9H20N2O
Molecular Weight
172.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dibutylurea

structure in first source

CAS Number1792-17-2
PubChem CID74523
IUPAC Name1,3-dibutylurea
Molecular FormulaC9H20N2O
Molecular Weight172.27
XLogP2.2
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity103
SMILES
CCCCNC(=O)NCCCC
InChI
InChI=1S/C9H20N2O/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
InChIKey
AQSQFWLMFCKKMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibutylurea
CAS: 1792-17-2
CID: 74523
Formula: C9H20N2O
MW: 172.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.27
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass172.157563266
Monoisotopic Mass172.157563266
Topological Polar Surface Area41.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity103
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

Alternative Products

CatalogName
BUP10942-01Dibutylurea
TRC-D429575-2.5GN,N'-Dibutylurea
OR24624-01N, N'-Dibutylurea
JH1812811,3-dibutylurea

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