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2C-iP Hydrochloride

CAT: 0572-TRC-I739385-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I739385-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2726226-30-6
Synonyms
2-(4-Isopropyl-2,5-dimethoxyphenyl)ethan-1-amine Monohydrochloride; 2-(4-Isopropyl-2,5-dimethoxyphenyl)ethanamine Hydrochloride;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC(C)C1=CC(OC)=C(CCN)C=C1OC.Cl
Molecular Formula
C13H21NO2 . (HCl)
Molecular Weight
259.77
InChI
InChI=1S/C13H21NO2.ClH/c1-9(2)11-8-12(15-3)10(5-6-14)7-13(11)16-4;/h7-9H,5-6,14H2,1-4H3;1H
Additionnal Information
IUPAC name: 2-(4-isopropyl-2,5-dimethoxyphenyl)ethan-1-amine hydrochloride
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

2C-iP Hydrochloride
CAS Number2726226-30-6
PubChem CID171042305
IUPAC Name2-(2,5-dimethoxy-4-propan-2-ylphenyl)ethanamine;hydrochloride
Molecular FormulaC13H22ClNO2
Molecular Weight259.77
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity196
SMILES
CC(C)C1=C(C=C(C(=C1)OC)CCN)OC.Cl
InChI
InChI=1S/C13H21NO2.ClH/c1-9(2)11-8-12(15-3)10(5-6-14)7-13(11)16-4;/h7-9H,5-6,14H2,1-4H3;1H
InChIKey
DMSATCVJCSZCCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2C-iP Hydrochloride
CAS: 2726226-30-6
CID: 171042305
Formula: C13H22ClNO2
MW: 259.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.77
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass259.1339066
Monoisotopic Mass259.1339066
Topological Polar Surface Area44.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity196
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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