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4-Phenoxybenzylamine 1g

CAT: 0628-A20959-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A20959-1000Size:1000 mg
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CAS Number
107622-80-0

Chemical Information

(4-Phenoxyphenyl)methanamine
CAS Number107622-80-0
PubChem CID2760343
IUPAC Name(4-phenoxyphenyl)methanamine
Molecular FormulaC13H13NO
Molecular Weight199.25
XLogP2.3
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity169
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CN
InChI
InChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKey
CCAZAGUSBMVSAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Phenoxyphenyl)methanamine
CAS: 107622-80-0
CID: 2760343
Formula: C13H13NO
MW: 199.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.25
XLogP32.3
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
Complexity169
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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