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α-Isopropylaminohexanophenone (hydrochloride)

CAT: 0804-HY-170052-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-170052-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
α-Isopropylaminohexanophenone hydrochloride is a drug derivative.
CAS Number
18296-61-2
UNSPSC
12352005
Target
Drug Derivative
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Smiles
CCCCC(NC(C)C)C(C1=CC=CC=C1)=O.[H]Cl
Molecular Formula
C15H24ClNO
Molecular Weight
269.81
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[(1-Methylethyl)amino]-1-phenyl-1-hexanone, monohydrochloride
CAS Number18296-61-2
PubChem CID155884433
IUPAC Name1-phenyl-2-(propan-2-ylamino)hexan-1-one;hydrochloride
Molecular FormulaC15H24ClNO
Molecular Weight269.81
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity219
SMILES
CCCCC(C(=O)C1=CC=CC=C1)NC(C)C.Cl
InChI
InChI=1S/C15H23NO.ClH/c1-4-5-11-14(16-12(2)3)15(17)13-9-7-6-8-10-13;/h6-10,12,14,16H,4-5,11H2,1-3H3;1H
InChIKey
AIIXQANEMHNCAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(1-Methylethyl)amino]-1-phenyl-1-hexanone, monohydrochloride
CAS: 18296-61-2
CID: 155884433
Formula: C15H24ClNO
MW: 269.81
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.81
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass269.1546421
Monoisotopic Mass269.1546421
Topological Polar Surface Area29.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity219
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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