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Procaine Hydrochloride

CAT: 0127-OR1014834-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR1014834-01Size:100 g
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CAS Number
51-05-8
MDL Number
MFCD00013000
Purity
99%
Smiles
Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1

Chemical Information

Procaine Hydrochloride

Procaine hydrochloride is an organic molecular entity.

CAS Number51-05-8
PubChem CID5795
IUPAC Name2-(diethylamino)ethyl 4-aminobenzoate;hydrochloride
Molecular FormulaC13H21ClN2O2
Molecular Weight272.77
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity221
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.Cl
InChI
InChI=1S/C13H20N2O2.ClH/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;1H
InChIKey
HCBIBCJNVBAKAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Procaine Hydrochloride
CAS: 51-05-8
CID: 5795
Formula: C13H21ClN2O2
MW: 272.77
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.77
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass272.1291556
Monoisotopic Mass272.1291556
Topological Polar Surface Area55.6 Ų
Heavy Atom Count18
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 Count2
Compound Is CanonicalizedYes