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AR524

CAT: 0013-GTR19186415-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186415-01Size:25 mg
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Description
AR524
CAS Number
2568148-31-0
Smiles
C (CCNCC1=CC=C (N (C) C) C=C1) (C=2C=C3C (=CC2) OCO3) C4=CC=C (OC) C=C4
Molecular Formula
C26H30N2O3
Molecular Weight
418.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[[[3-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline
CAS Number2568148-31-0
PubChem CID162649264
IUPAC Name4-[[[3-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline
Molecular FormulaC26H30N2O3
Molecular Weight418.5
XLogP5
Topological Polar Surface Area43
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity515
SMILES
CN(C)C1=CC=C(C=C1)CNCCC(C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C26H30N2O3/c1-28(2)22-9-4-19(5-10-22)17-27-15-14-24(20-6-11-23(29-3)12-7-20)21-8-13-25-26(16-21)31-18-30-25/h4-13,16,24,27H,14-15,17-18H2,1-3H3
InChIKey
IOXKWQCUPAREHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[[3-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline
CAS: 2568148-31-0
CID: 162649264
Formula: C26H30N2O3
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass418.22564282
Monoisotopic Mass418.22564282
Topological Polar Surface Area43 Ų
Heavy Atom Count31
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T62198-01AR524

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