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N-Acetylprocainamide hydrochloride

CAT: 0926-FA71430-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FA71430-01Size:2 g
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CAS Number
34118-92-8
MDL Number
MFCD00012501
Smiles
CCN (CC) CCNC (=O) C1=CC=C (C=C1) NC (=O) C.Cl
Molecular Formula
C15H24ClN3O2
Molecular Weight
313.82 g/mol
Controlled
No

Chemical Information

Acecainide Hydrochloride
CAS Number34118-92-8
PubChem CID71417
IUPAC Name4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
Molecular FormulaC15H24ClN3O2
Molecular Weight313.82
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity308
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C.Cl
InChI
InChI=1S/C15H23N3O2.ClH/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19;/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19);1H
InChIKey
IYEWBJUCJHKLHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acecainide Hydrochloride
CAS: 34118-92-8
CID: 71417
Formula: C15H24ClN3O2
MW: 313.82
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight313.82
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass313.1557047
Monoisotopic Mass313.1557047
Topological Polar Surface Area61.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity308
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