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Compound PDK0282

CAT: 0931-PDK0282-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-PDK0282-02Size:1 g
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CAS Number
579-66-8
Bioactivity
Compound PDK0282, with CAS No. 579-66-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0282 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CCc1cccc(CC)c1N
Molecular Formula
C10H15N
Molecular Weight
149.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,6-Diethylaniline

Terminal metabolite of Alachlor <ht>DKW79-G</ht> in soil and animals.

CAS Number579-66-8
PubChem CID11369
IUPAC Name2,6-diethylaniline
Molecular FormulaC10H15N
Molecular Weight149.23
XLogP2.7
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity99
SMILES
CCC1=C(C(=CC=C1)CC)N
InChI
InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
InChIKey
FOYHNROGBXVLLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Diethylaniline
CAS: 579-66-8
CID: 11369
Formula: C10H15N
MW: 149.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.23
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass149.120449483
Monoisotopic Mass149.120449483
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity99.4
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

Related Products

CatalogName
PDK0272-01Compound PDK0272
PDK0242-01Compound PDK0242
PDK0228-01Compound PDK0228
PDK0288-01Compound PDK0288
PDK0382-01Compound PDK0382
PDK0286-01Compound PDK0286
PDK0285-01Compound PDK0285
PDK0287-01Compound PDK0287
PDK0284-01Compound PDK0284
PDK0280-01Compound PDK0280

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ALX-550-516-M025Compound A
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C5824-10GPR120 Compound A
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B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
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