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Butenafine Impurity 13

CAT: 1596-AR-B08165-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B08165-01Size:10 Units
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CAS Number
191668-01-6
Molecular Formula
C23H19NO
Molecular Weight
325.41
API Name
Butenafine

Chemical Information

Butenafine Impurity 15
CAS Number191668-01-6
PubChem CID85734225
IUPAC NameN-methyl-N-(naphthalen-1-ylmethyl)naphthalene-2-carboxamide
Molecular FormulaC23H19NO
Molecular Weight325.4
XLogP5.4
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity461
SMILES
CN(CC1=CC=CC2=CC=CC=C21)C(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C23H19NO/c1-24(16-21-11-6-10-18-8-4-5-12-22(18)21)23(25)20-14-13-17-7-2-3-9-19(17)15-20/h2-15H,16H2,1H3
InChIKey
BOKBTLCWSZFFRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butenafine Impurity 15
CAS: 191668-01-6
CID: 85734225
Formula: C23H19NO
MW: 325.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight325.4
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass325.146664230
Monoisotopic Mass325.146664230
Topological Polar Surface Area20.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity461
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