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Compound Fr12904

CAT: 0013-GTR19269855-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269855-01Size:2 mg
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Description
Compound Fr12904, with CAS No. 31963-35-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12904 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.
CAS Number
31963-35-6
Purity
98.88% (May vary between batches)
Smiles
Cl.NCC1=C (OC2=CC=CC=C2) C=CC=C1
Molecular Formula
C13H13NO.ClH
Molecular Weight
235.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2-PHENOXYPHENYL)METHANAMINE hydrochloride
CAS Number31963-35-6
PubChem CID17749840
IUPAC Name(2-phenoxyphenyl)methanamine;hydrochloride
Molecular FormulaC13H14ClNO
Molecular Weight235.71
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity177
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2CN.Cl
InChI
InChI=1S/C13H13NO.ClH/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12;/h1-9H,10,14H2;1H
InChIKey
USRYZTSPSJXQFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-PHENOXYPHENYL)METHANAMINE hydrochloride
CAS: 31963-35-6
CID: 17749840
Formula: C13H14ClNO
MW: 235.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass235.0763918
Monoisotopic Mass235.0763918
Topological Polar Surface Area35.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity177
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

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GTR19269844-01Compound Fr12840
GTR19269823-01Compound Fr12608
GTR19269822-01Compound Fr12606
GTR19269862-01Compound Fr12959

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