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Dinotefuran UF

CAT: 0572-TRC-D484615-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D484615-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
457614-34-5
Synonyms
Urea, N-methyl-N'-[(tetrahydro-3-furanyl)methyl]-; N-Methyl-N'-[(tetrahydro-3-furanyl)methyl]urea
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CNC(=O)NCC1CCOC1
Molecular Formula
C7 H14 N2 O2
Molecular Weight
158.2
InChI
InChI=1S/C7H14N2O2/c1-8-7(10)9-4-6-2-3-11-5-6/h6H,2-5H2,1H3,(H2,8,9,10)
Additionnal Information
IUPAC name: 1-methyl-3-(oxolan-3-ylmethyl)urea
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Methyl-3-(tetrahydro-3-furylmethyl)urea
CAS Number457614-34-5
PubChem CID71346722
IUPAC Name1-methyl-3-(oxolan-3-ylmethyl)urea
Molecular FormulaC7H14N2O2
Molecular Weight158.20
XLogP-0.4
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
CNC(=O)NCC1CCOC1
InChI
InChI=1S/C7H14N2O2/c1-8-7(10)9-4-6-2-3-11-5-6/h6H,2-5H2,1H3,(H2,8,9,10)
InChIKey
ZKHFVKXZYZDWSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-3-(tetrahydro-3-furylmethyl)urea
CAS: 457614-34-5
CID: 71346722
Formula: C7H14N2O2
MW: 158.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.20
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass158.105527694
Monoisotopic Mass158.105527694
Topological Polar Surface Area50.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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