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Tolterodine Impurity 23

CAT: 1299-RM-T201823-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T201823-01Size:10 mg
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CAS Number
173948-30-6
Synonyms
(E) -N, N-diisopropyl-3-phenylprop-2-en-1-amine
Molecular Formula
C15H23N
Molecular Weight
217.35
Target Alternative Name
Tolterodine
Product Name Synonym
(E) -N, N-diisopropyl-3-phenylprop-2-en-1-amine

Chemical Information

(2E)-3-Phenyl-N,N-di(propan-2-yl)prop-2-en-1-amine
CAS Number173948-30-6
PubChem CID13595928
IUPAC Name(E)-3-phenyl-N,N-di(propan-2-yl)prop-2-en-1-amine
Molecular FormulaC15H23N
Molecular Weight217.35
XLogP4.2
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity191
SMILES
CC(C)N(C/C=C/C1=CC=CC=C1)C(C)C
InChI
InChI=1S/C15H23N/c1-13(2)16(14(3)4)12-8-11-15-9-6-5-7-10-15/h5-11,13-14H,12H2,1-4H3/b11-8+
InChIKey
QOHVOTFSKSSADY-DHZHZOJOSA-N
Chemical Structure
2D Structure
2D structure of (2E)-3-Phenyl-N,N-di(propan-2-yl)prop-2-en-1-amine
CAS: 173948-30-6
CID: 13595928
Formula: C15H23N
MW: 217.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.35
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass217.183049738
Monoisotopic Mass217.183049738
Topological Polar Surface Area3.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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