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Toremifene Impurity 2

CAT: 1299-RM-T151802-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T151802-01Size:10 mg
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CAS Number
604010-60-8
Synonyms
(Z) -2- (4- (1,2-diphenylbuta-1,3-dien-1-yl) phenoxy) -N, N-dimethylethanamine
Molecular Formula
C26H27NO
Molecular Weight
369.5
Target Alternative Name
Toremifene
Product Name Synonym
(Z) -2- (4- (1,2-diphenylbuta-1,3-dien-1-yl) phenoxy) -N, N-dimethylethanamine

Chemical Information

Toremifene Impurity 2
CAS Number604010-60-8
PubChem CID10915620
IUPAC Name2-[4-[(1Z)-1,2-diphenylbuta-1,3-dienyl]phenoxy]-N,N-dimethylethanamine
Molecular FormulaC26H27NO
Molecular Weight369.5
XLogP7.1
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity489
SMILES
CN(C)CCOC1=CC=C(C=C1)/C(=C(/C=C)\C2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C26H27NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h4-18H,1,19-20H2,2-3H3/b26-25-
InChIKey
AJNFVDSYBLVCQL-QPLCGJKRSA-N
Chemical Structure
2D Structure
2D structure of Toremifene Impurity 2
CAS: 604010-60-8
CID: 10915620
Formula: C26H27NO
MW: 369.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.5
XLogP37.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass369.209264485
Monoisotopic Mass369.209264485
Topological Polar Surface Area12.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity489
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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