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Propanocaine HCl

CAT: 0931-T202481-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202481-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1679-79-4
Bioactivity
Propanocaine, classified as a benzyl alcohol derivative, exhibits properties of a local anesthetic.
Smiles
Cl.O=C(OC(C=1C=CC=CC1)CCN(CC)CC)C=2C=CC=CC2
Molecular Formula
C20H26ClNO2
Molecular Weight
347.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Propanocaine hydrochloride
CAS Number1679-79-4
PubChem CID11210217
IUPAC Name[3-(diethylamino)-1-phenylpropyl] benzoate;hydrochloride
Molecular FormulaC20H26ClNO2
Molecular Weight347.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity329
SMILES
CCN(CC)CCC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2.Cl
InChI
InChI=1S/C20H25NO2.ClH/c1-3-21(4-2)16-15-19(17-11-7-5-8-12-17)23-20(22)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKey
BTEONAMWIGDTPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propanocaine hydrochloride
CAS: 1679-79-4
CID: 11210217
Formula: C20H26ClNO2
MW: 347.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass347.1652068
Monoisotopic Mass347.1652068
Topological Polar Surface Area29.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity329
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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