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Dibucaine hydrochloride

CAT: 0862-GW2933-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0862-GW2933-5gSize:5 g
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CAS Number
61-12-1
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

Dibucaine Hydrochloride

See also: Dibucaine (has active moiety); Dibucaine Hydrochloride; Secobarbital Sodium (component of) ... View More ...

CAS Number61-12-1
PubChem CID521951
IUPAC Name2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride
Molecular FormulaC20H30ClN3O2
Molecular Weight379.9
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count26
Formal Charge0
Complexity387
SMILES
CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC.Cl
InChI
InChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H
InChIKey
IVHBBMHQKZBJEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibucaine Hydrochloride
CAS: 61-12-1
CID: 521951
Formula: C20H30ClN3O2
MW: 379.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight379.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass379.2026549
Monoisotopic Mass379.2026549
Topological Polar Surface Area54.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity387
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