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3- (Phenoxymethyl) aniline

CAT: 0013-GTR19252239-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252239-01Size:200 mg
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Description
3- (Phenoxymethyl) aniline
CAS Number
93189-16-3
Smiles
NC1=CC=CC (COC2=CC=CC=C2) =C1
Molecular Formula
C13H13NO
Molecular Weight
199.2484
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(Phenoxymethyl)aniline
CAS Number93189-16-3
PubChem CID427435
IUPAC Name3-(phenoxymethyl)aniline
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)OCC2=CC(=CC=C2)N
InChI
InChI=1S/C13H13NO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10,14H2
InChIKey
FSQPEMRQTZGIRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Phenoxymethyl)aniline
CAS: 93189-16-3
CID: 427435
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

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