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1,3-Dibenzylurea

CAT: 0926-BAA46667-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-BAA46667-01Size:5 g
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CAS Number
1466-67-7
MDL Number
MFCD00276302
Smiles
C1=CC=C (C=C1) CNC (=O) NCC2=CC=CC=C2
Molecular Formula
C15H16N2O
Molecular Weight
240.3 g/mol
Controlled
No

Chemical Information

Urea, N,N'-bis(phenylmethyl)-

Urea, N,N'-bis(phenylmethyl)- has been reported in Pentadiplandra brazzeana, Moringa oleifera, and Salvadora oleoides with data available.

CAS Number1466-67-7
PubChem CID72889
IUPAC Name1,3-dibenzylurea
Molecular FormulaC15H16N2O
Molecular Weight240.30
XLogP2.4
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity219
SMILES
C1=CC=C(C=C1)CNC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
InChIKey
KATOLVAXCGIBLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Urea, N,N'-bis(phenylmethyl)-
CAS: 1466-67-7
CID: 72889
Formula: C15H16N2O
MW: 240.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.30
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass240.126263138
Monoisotopic Mass240.126263138
Topological Polar Surface Area41.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity219
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

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