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Compound A

CAT: 1106-ALX-550-516-M025Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1106-ALX-550-516-M025Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14593-25-0
Product Name Alternative
CpdA, 2- ((4-Acetophenyl) -2-chloro-N-methyl) ethylammonium chloride
Certification
RUO
Stability
As indicated on product label or CoA when stored as recommended. Stock solutions in ethanol are stable for up to 1 month when stored at -80°C.
Purity
≥98% (HPLC)
Solubility
Soluble in DMSO, 100% ethanol or water.
Molecular Formula
C 11 H 14 ClNO 2 . HCl
Molecular Weight
227.7 . 36.5
Shipping Conditions
Blue Ice
Storage Conditions
-80°C
Appearance
White to off-white solid.

Chemical Information

2-(4-Acetoxyphenyl)-2-chloro-N-methylethylamine

a non-steroidal dissociated glucocorticoid receptor (GR) ligand and NSAID; structure in first source

CAS Number14593-25-0
PubChem CID9838147
IUPAC Name[4-[1-chloro-2-(methylamino)ethyl]phenyl] acetate;hydrochloride
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.14
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity203
SMILES
CC(=O)OC1=CC=C(C=C1)C(CNC)Cl.Cl
InChI
InChI=1S/C11H14ClNO2.ClH/c1-8(14)15-10-5-3-9(4-6-10)11(12)7-13-2;/h3-6,11,13H,7H2,1-2H3;1H
InChIKey
WKMYTPCPAWZWII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Acetoxyphenyl)-2-chloro-N-methylethylamine
CAS: 14593-25-0
CID: 9838147
Formula: C11H15Cl2NO2
MW: 264.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight264.14
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass263.0479841
Monoisotopic Mass263.0479841
Topological Polar Surface Area38.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity203
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