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Trazodone Isobutyl Ether

CAT: 0572-TRC-T242465-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T242465-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2470436-00-9
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)COCCCN1CCN(CC1)c2cccc(Cl)c2
Molecular Formula
C17 H27 Cl N2 O
Molecular Weight
310.862
InChI
InChI=1S/C17H27ClN2O/c1-15(2)14-21-12-4-7-19-8-10-20(11-9-19)17-6-3-5-16(18)13-17/h3,5-6,13,15H,4,7-12,14H2,1-2H3
Additionnal Information
IUPAC name: 1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl isobutyl ether
CAS Number2470436-00-9
PubChem CID76971272
IUPAC Name1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine
Molecular FormulaC17H27ClN2O
Molecular Weight310.9
XLogP4
Topological Polar Surface Area15.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity280
SMILES
CC(C)COCCCN1CCN(CC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H27ClN2O/c1-15(2)14-21-12-4-7-19-8-10-20(11-9-19)17-6-3-5-16(18)13-17/h3,5-6,13,15H,4,7-12,14H2,1-2H3
InChIKey
FRTBSOPDOOIUDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl isobutyl ether
CAS: 2470436-00-9
CID: 76971272
Formula: C17H27ClN2O
MW: 310.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.9
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass310.1811912
Monoisotopic Mass310.1811912
Topological Polar Surface Area15.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CS-O-43348Trazodone Isobutyl Ether Analog
CS-O-42781Trazodone Isobutyl carbonate impurity
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OR1004116-01Glycidyl isobutyl ether
B03320-01Benzoin isobutyl ether 90%
V02120-01Vinyl isobutyl ether 98%
N02760-01B-Naphthyl Isobutyl Ether
JH863138Poly (vinyl chloride-co-isobutyl vinyl ether) ; vinyl chloride-vinyl isobutyl ether copolymer; copolymer of vinyl chloride and vinyl isobutyl ether
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