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Aptocaine hydrochloride

CAT: 0931-T30109L-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30109L-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19281-32-4
Target
Others
Related Pathways
Others
Bioactivity
Aptocaine hydrochloride is a local anesthetic.
Smiles
Cl.O=C(NC=1C=CC=CC1C)C(N2CCCC2)C
Molecular Formula
C14H21ClN2O
Molecular Weight
268.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aptocaine hydrochloride
CAS Number19281-32-4
PubChem CID3084310
IUPAC NameN-(2-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride
Molecular FormulaC14H21ClN2O
Molecular Weight268.78
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity261
SMILES
CC1=CC=CC=C1NC(=O)C(C)N2CCCC2.Cl
InChI
InChI=1S/C14H20N2O.ClH/c1-11-7-3-4-8-13(11)15-14(17)12(2)16-9-5-6-10-16;/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,15,17);1H
InChIKey
JUSHHIAJHXVGRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aptocaine hydrochloride
CAS: 19281-32-4
CID: 3084310
Formula: C14H21ClN2O
MW: 268.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.78
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass268.1342410
Monoisotopic Mass268.1342410
Topological Polar Surface Area32.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity261
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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