Products for Research Use Only

Nifenalol.HCl

CAT: 0013-GTR19157029-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157029-01Size:200 mg
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Description
Nifenalol is a antagonist of β-adrenergic receptor.
CAS Number
5704-60-9
Product Name Alternative
INPEA
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 250 mg/mL (958.88 mM)
Smiles
Cl.CC (C) NCC (O) c1ccc (cc1) [N+] ([O-]) =O
Molecular Formula
C11H17ClN2O3
Molecular Weight
260.72
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Benzenemethanol, alpha-(((1-methylethyl)amino)methyl)-4-nitro-, monohydrochloride
CAS Number5704-60-9
PubChem CID6316
IUPAC Name1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity220
SMILES
CC(C)NCC(C1=CC=C(C=C1)[N+](=O)[O-])O.Cl
InChI
InChI=1S/C11H16N2O3.ClH/c1-8(2)12-7-11(14)9-3-5-10(6-4-9)13(15)16;/h3-6,8,11-12,14H,7H2,1-2H3;1H
InChIKey
STGOXRVTUNXXLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenemethanol, alpha-(((1-methylethyl)amino)methyl)-4-nitro-, monohydrochloride
CAS: 5704-60-9
CID: 6316
Formula: C11H17ClN2O3
MW: 260.72
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight260.72
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass260.0927701
Monoisotopic Mass260.0927701
Topological Polar Surface Area78.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity220
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