Products for Research Use Only
RegisterLogin

Compound 111082-23-6

CAT: 0931-TPL0153-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TPL0153-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
111082-23-6
Purity
0.9982
Bioactivity
Compound 111082-23-6, with CAS No. 111082-23-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 111082-23-6 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.NC(=N)c1ccc(cc1)-c1ccccc1
Molecular Formula
C13H13ClN2
Molecular Weight
232.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Phenylbenzene-1-carboximidamide hydrochloride
CAS Number111082-23-6
PubChem CID14436799
IUPAC Name4-phenylbenzenecarboximidamide;hydrochloride
Molecular FormulaC13H13ClN2
Molecular Weight232.71
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity211
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=N)N.Cl
InChI
InChI=1S/C13H12N2.ClH/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H3,14,15);1H
InChIKey
WIYQWPDKLHFVLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Phenylbenzene-1-carboximidamide hydrochloride
CAS: 111082-23-6
CID: 14436799
Formula: C13H13ClN2
MW: 232.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.71
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass232.0767261
Monoisotopic Mass232.0767261
Topological Polar Surface Area49.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity211
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
TPL0050-01Compound 22099-23-6
TPL0084-01Compound 54675-23-9
TPL0199-01Compound 98437-23-1
T204550-01CDK4/6-IN-23
TN6408New compound 6
T83396-0123-Nor-6-oxopristimerol
TPL0125-01Compound 17796-82-6
TPL0072-01Compound 342617-07-6
TPL0020-01Compound 78879-20-6
TPL0191-01Compound 1423-61-6

Alternative Products

CatalogName
M24115-01Compound 23
GTR19208039New compound 23
GTR19154028-01TrkA inhibitor compound 23 (TrkA-IN-23)
HY-P11243EphA4 agonist compound 23
AR-A01729-01Alogliptin Related Compound 23
574192MAGL Inhibitor Compound 23
AR-T02080-01Ticagrelor Related Compound 23
AR-R10761-01Retinoic Acid Related Compound 23
AR-T02473-01Tofacitinib Related Compound 23 DiHCl
GTR19179334New compound 6

Popular Products