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Amorolfine EP Impurity E

CAT: 1299-RM-A132605-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A132605-02Size:25 mg
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CAS Number
2134097-34-8
Synonyms
Mixture of (2RS,6RS) -2,6-dimethyl-4- ((R) -2-methyl-3- (4- (tert-pentyl) phenyl) propyl) morpholine and (2RS,6RS) -2,6-dimethyl-4- ((S) -2-methyl-3- (4- (tert-pentyl) phenyl) propyl) morpholine
Molecular Formula
C21H35NO
Molecular Weight
317.51
Target Alternative Name
Amorolfine
Product Name Synonym
Mixture of (2RS,6RS) -2,6-dimethyl-4- ((R) -2-methyl-3- (4- (tert-pentyl) phenyl) propyl) morpholine and (2RS,6RS) -2,6-dimethyl-4- ((S) -2-methyl-3- (4- (tert-pentyl) phenyl) propyl) morpholine

Chemical Information

trans-Amorolfine
CAS Number2134097-34-8
PubChem CID6321270
IUPAC Name(2S,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
Molecular FormulaC21H35NO
Molecular Weight317.5
XLogP5.7
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity336
SMILES
CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@@H](O[C@H](C2)C)C
InChI
InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18-/m0/s1
InChIKey
MQHLMHIZUIDKOO-FQECFTEESA-N
Chemical Structure
2D Structure
2D structure of trans-Amorolfine
CAS: 2134097-34-8
CID: 6321270
Formula: C21H35NO
MW: 317.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.5
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass317.271864740
Monoisotopic Mass317.271864740
Topological Polar Surface Area12.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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