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N-Methylnuciferine

CAT: 1407-AB0280Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB0280Size:20 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
754919-24-9
Purity
98% (HPLC)
Molecular Formula
C20H24NO2+
Molecular Weight
310.416

Chemical Information

N-Methylnuciferine
CAS Number754919-24-9
PubChem CID102004640
IUPAC Name(6aR)-1,2-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
Molecular FormulaC20H24NO2+
Molecular Weight310.4
XLogP3.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge1
Complexity437
SMILES
C[N+]1(CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)OC)C
InChI
InChI=1S/C20H24NO2/c1-21(2)10-9-14-12-17(22-3)20(23-4)19-15-8-6-5-7-13(15)11-16(21)18(14)19/h5-8,12,16H,9-11H2,1-4H3/q+1/t16-/m1/s1
InChIKey
NJSAZXBJMATEKS-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of N-Methylnuciferine
CAS: 754919-24-9
CID: 102004640
Formula: C20H24NO2+
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass310.180704008
Monoisotopic Mass310.180704008
Topological Polar Surface Area18.5 Ų
Heavy Atom Count23
Formal Charge1
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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