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Benzacin hydrochloride

CAT: 0931-T30322-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30322-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
71-79-4
Target
Others
Related Pathways
Others
Bioactivity
Benzacin hydrochloride is a biochemical.
Smiles
Cl.O=C(OCCN(C)C)C(O)(C=1C=CC=CC1)C=2C=CC=CC2
Molecular Formula
C18H22ClNO3
Molecular Weight
335.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride
CAS Number71-79-4
PubChem CID101533
IUPAC Name2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
Molecular FormulaC18H22ClNO3
Molecular Weight335.8
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity326
SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl
InChI
InChI=1S/C18H21NO3.ClH/c1-19(2)13-14-22-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,21H,13-14H2,1-2H3;1H
InChIKey
IJKAOMCJQZGZPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride
CAS: 71-79-4
CID: 101533
Formula: C18H22ClNO3
MW: 335.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass335.1288213
Monoisotopic Mass335.1288213
Topological Polar Surface Area49.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity326
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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