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SW43

CAT: 0013-GTR19198924-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198924-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SW43
CAS Number
1421931-15-8
Smiles
C (CCCCCCCCCN) N1C2CC (OC (NC3=C (OC) C=CC (OC) =C3) =O) CC1CCC2
Molecular Formula
C27H45N3O4
Molecular Weight
475.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[9-(10-aminodecyl)-9-azabicyclo[3.3.1]nonan-3-yl] N-(2,5-dimethoxyphenyl)carbamate
CAS Number1421931-15-8
PubChem CID146556363
IUPAC Name[9-(10-aminodecyl)-9-azabicyclo[3.3.1]nonan-3-yl] N-(2,5-dimethoxyphenyl)carbamate
Molecular FormulaC27H45N3O4
Molecular Weight475.7
XLogP5.7
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count34
Formal Charge0
Complexity564
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)OC2CC3CCCC(C2)N3CCCCCCCCCCN
InChI
InChI=1S/C27H45N3O4/c1-32-23-14-15-26(33-2)25(20-23)29-27(31)34-24-18-21-12-11-13-22(19-24)30(21)17-10-8-6-4-3-5-7-9-16-28/h14-15,20-22,24H,3-13,16-19,28H2,1-2H3,(H,29,31)
InChIKey
CJQNACPQMWELAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [9-(10-aminodecyl)-9-azabicyclo[3.3.1]nonan-3-yl] N-(2,5-dimethoxyphenyl)carbamate
CAS: 1421931-15-8
CID: 146556363
Formula: C27H45N3O4
MW: 475.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.7
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass475.34100693
Monoisotopic Mass475.34100693
Topological Polar Surface Area86.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775973SW43

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