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Compound PDK0100

CAT: 0931-PDK0100-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-PDK0100-02Size:1 g
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CAS Number
18637-00-8
Bioactivity
Compound PDK0100, with CAS No. 18637-00-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0100 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
Cl.CCOc1ccccc1C(N)=N
Molecular Formula
C9H12N2O
Molecular Weight
164.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Ethoxybenzamidine hydrochloride

See also: 2-Ethoxybenzenecarboximidamide hydrochloride (annotation moved to).

CAS Number18637-00-8
PubChem CID12301244
IUPAC Name2-ethoxybenzenecarboximidamide;hydrochloride
Molecular FormulaC9H13ClN2O
Molecular Weight200.66
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
CCOC1=CC=CC=C1C(=N)N.Cl
InChI
InChI=1S/C9H12N2O.ClH/c1-2-12-8-6-4-3-5-7(8)9(10)11;/h3-6H,2H2,1H3,(H3,10,11);1H
InChIKey
NGMHLSBQVIXGNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxybenzamidine hydrochloride
CAS: 18637-00-8
CID: 12301244
Formula: C9H13ClN2O
MW: 200.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.66
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass200.0716407
Monoisotopic Mass200.0716407
Topological Polar Surface Area59.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
PDK0103-01Compound PDK0103
PDK0108-01Compound PDK0108
PDK0102-01Compound PDK0102
PDK0300-01Compound PDK0300
PDK0190-01Compound PDK0190
PDK0170-01Compound PDK0170
PDK0110-01Compound PDK0110
PDK0010-01Compound PDK0010
PDK0150-01Compound PDK0150
PDK0400-01Compound PDK0400

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HY-14176-01Compound E
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