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(3-Phenoxyphenyl) methanamine

CAT: 0127-OR94624-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR94624-01Size:250 mg
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CAS Number
50742-37-5
MDL Number
MFCD01631862
Purity
98%
Smiles
NCC1=CC=CC(OC2=CC=CC=C2)=C1

Chemical Information

3-Phenoxy-benzylamine
CAS Number50742-37-5
PubChem CID1094836
IUPAC Name(3-phenoxyphenyl)methanamine
Molecular FormulaC13H13NO
Molecular Weight199.25
XLogP2.2
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)OC2=CC=CC(=C2)CN
InChI
InChI=1S/C13H13NO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10,14H2
InChIKey
OWIFNISFRBVGIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Phenoxy-benzylamine
CAS: 50742-37-5
CID: 1094836
Formula: C13H13NO
MW: 199.25
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.25
XLogP32.2
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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