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Procaine

CAT: 0013-GTR19161330-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161330-01Size:500 mg
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Description
Procaine is a local anesthetic drug of the amino ester group, which acts through multiple targets.
CAS Number
59-46-1
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
Soluble in DMSO, Ethanol , Water
Smiles
CCN (CC) CCOC (=O) C1=CC=C (N) C=C1
Molecular Formula
C13H20N2O2
Molecular Weight
236.32
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Procaine

Procaine is a benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol. It has a role as a central nervous system depressant, a local anaesthetic, a peripheral nervous system drug and a drug allergen. It is a benzoate ester, a substituted aniline and a tertiary amino compound. It is functionally related to a 4-aminobenzoic acid and a 2-diethylaminoethanol. It is a conjugate base of a procaine(1+).

CAS Number59-46-1
PubChem CID4914
IUPAC Name2-(diethylamino)ethyl 4-aminobenzoate
Molecular FormulaC13H20N2O2
Molecular Weight236.31
XLogP1.9
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity221
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
InChIKey
MFDFERRIHVXMIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Procaine
CAS: 59-46-1
CID: 4914
Formula: C13H20N2O2
MW: 236.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.31
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass236.152477885
Monoisotopic Mass236.152477885
Topological Polar Surface Area55.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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