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Compound Fr12897

CAT: 0931-Fr12897-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-Fr12897-02Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1484-26-0
Purity
0.9975
Bioactivity
Compound Fr12897, with CAS No. 1484-26-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12897 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
NC1=CC=CC(OCC2=CC=CC=C2)=C1
Molecular Formula
C13H13NO
Molecular Weight
199.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Benzyloxyaniline
CAS Number1484-26-0
PubChem CID92892
IUPAC Name3-phenylmethoxyaniline
Molecular FormulaC13H13NO
Molecular Weight199.25
XLogP3.1
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity177
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)N
InChI
InChI=1S/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2
InChIKey
IGPFOKFDBICQMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Benzyloxyaniline
CAS: 1484-26-0
CID: 92892
Formula: C13H13NO
MW: 199.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.25
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass199.099714038
Monoisotopic Mass199.099714038
Topological Polar Surface Area35.3 Ų
Heavy Atom Count15
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 Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr12898-01Compound Fr12898
Fr12890-01Compound Fr12890
Fr12497-01Compound Fr12497
Fr12896-01Compound Fr12896
Fr12817-01Compound Fr12817
Fr12597-01Compound Fr12597
Fr12987-01Compound Fr12987
Fr12877-01Compound Fr12877
Fr12397-01Compound Fr12397
Fr12297-01Compound Fr12297

Alternative Products

CatalogName
ALX-550-516-M005Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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