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Bupivacaine Impurity 40

CAT: 1299-RM-B162240-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B162240-01Size:10 mg
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CAS Number
2199805-25-7
Synonyms
Isobutyl (2,6-dimethylphenyl) carbamate
Molecular Formula
C13H19NO2
Molecular Weight
221.3
Target Alternative Name
Bupivacaine
Product Name Synonym
Isobutyl (2,6-dimethylphenyl) carbamate

Chemical Information

X2Eeh78yte
CAS Number2199805-25-7
PubChem CID127502320
IUPAC Name2-methylpropyl N-(2,6-dimethylphenyl)carbamate
Molecular FormulaC13H19NO2
Molecular Weight221.29
XLogP3
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity218
SMILES
CC1=C(C(=CC=C1)C)NC(=O)OCC(C)C
InChI
InChI=1S/C13H19NO2/c1-9(2)8-16-13(15)14-12-10(3)6-5-7-11(12)4/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKey
CWZFMDGIHLPLKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of X2Eeh78yte
CAS: 2199805-25-7
CID: 127502320
Formula: C13H19NO2
MW: 221.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.29
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass221.141578849
Monoisotopic Mass221.141578849
Topological Polar Surface Area38.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity218
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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