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Fenetylline hydrochloride

CAT: 1459-CS-EK-00800Size: 1 EachDry Ice: NoHazardous: No
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Description
Fenetylline hydrochloride is listed under API and is intended for research and analytical applications. It is associated with Fenetylline. This is a controlled substance entry for enquiry only. Any possible supply discussion is subject to due diligence, certification, permits, documentation, intended end-use and applicable compliance review. This controlled substance entry is shown for qualified research enquiry and compliance review, with product information including CAS number, molecular formula, molecular weight and enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1892-80-4
Synonyms
Fenetylline hydrochloride
Molecular Formula
C 18 H 24 ClN 5 O 2
Molecular Weight
377.87
Additionnal Information
Fenetylline hydrochloride is a controlled substance reference entry. Enquiries are reviewed for organization details, intended end-use, certifications, permits, documentation and applicable legal requirements before any possible supply discussion.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Fenethylline Hydrochloride
CAS Number1892-80-4
PubChem CID102710
IUPAC Name1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione;hydrochloride
Molecular FormulaC18H24ClN5O2
Molecular Weight377.9
Topological Polar Surface Area70.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity494
SMILES
CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl
InChI
InChI=1S/C18H23N5O2.ClH/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2;/h4-8,12-13,19H,9-11H2,1-3H3;1H
InChIKey
MVXGSLGVWBVZCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fenethylline Hydrochloride
CAS: 1892-80-4
CID: 102710
Formula: C18H24ClN5O2
MW: 377.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass377.1618527
Monoisotopic Mass377.1618527
Topological Polar Surface Area70.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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