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Revefenacin Impurity 113

CAT: 1299-RM-R052413-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R052413-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27058-15-7
Synonyms
N-Methyl-N-[2- (phenylmethoxy) ethyl]benzenemethanamine; N-benzyl-2- (benzyloxy) -N-methylethan-1-amine
Molecular Formula
C17H21NO
Molecular Weight
255.36
Target Alternative Name
Revefenacin

Chemical Information

Nicardipine Impurity N13
CAS Number27058-15-7
PubChem CID11470840
IUPAC NameN-benzyl-N-methyl-2-phenylmethoxyethanamine
Molecular FormulaC17H21NO
Molecular Weight255.35
XLogP3.1
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity219
SMILES
CN(CCOCC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H21NO/c1-18(14-16-8-4-2-5-9-16)12-13-19-15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKey
JIKKJWCOGOACFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nicardipine Impurity N13
CAS: 27058-15-7
CID: 11470840
Formula: C17H21NO
MW: 255.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.35
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass255.162314293
Monoisotopic Mass255.162314293
Topological Polar Surface Area12.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity219
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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