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NU1064

CAT: 0013-GTR19210986-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210986-01Size:25 mg
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Description
NU1064
CAS Number
63916-38-1
Smiles
Cl.Cl.CCCCN1CCC (Cc2ccccn2) (CC1) OC (C) =O
Molecular Formula
C9H9N3O
Molecular Weight
175.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Piperidinol, 1-butyl-4-(2-pyridyl)methyl-, acetate, dihydrochloride
CAS Number63916-38-1
PubChem CID3048598
IUPAC Name[1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-yl] acetate;dihydrochloride
Molecular FormulaC17H28Cl2N2O2
Molecular Weight363.3
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity325
SMILES
CCCCN1CCC(CC1)(CC2=CC=CC=N2)OC(=O)C.Cl.Cl
InChI
InChI=1S/C17H26N2O2.2ClH/c1-3-4-11-19-12-8-17(9-13-19,21-15(2)20)14-16-7-5-6-10-18-16;;/h5-7,10H,3-4,8-9,11-14H2,1-2H3;2*1H
InChIKey
VGWNCYGMSISHSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Piperidinol, 1-butyl-4-(2-pyridyl)methyl-, acetate, dihydrochloride
CAS: 63916-38-1
CID: 3048598
Formula: C17H28Cl2N2O2
MW: 363.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass362.1527835
Monoisotopic Mass362.1527835
Topological Polar Surface Area42.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity325
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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