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Isoproterenol Impurity 31

CAT: 1299-RM-I191657-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I191657-01Size:10 mg
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CAS Number
97454-48-3
Synonyms
N-isopropyl-2- (isopropylamino) acetamide
Molecular Formula
C8H18N2O
Molecular Weight
158.25
Target Alternative Name
Isoproterenol
Product Name Synonym
N-isopropyl-2- (isopropylamino) acetamide

Chemical Information

N-(1-Methylethyl)-2-[(1-methylethyl)amino]acetamide
CAS Number97454-48-3
PubChem CID13938989
IUPAC NameN-propan-2-yl-2-(propan-2-ylamino)acetamide
Molecular FormulaC8H18N2O
Molecular Weight158.24
XLogP0.7
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity121
SMILES
CC(C)NCC(=O)NC(C)C
InChI
InChI=1S/C8H18N2O/c1-6(2)9-5-8(11)10-7(3)4/h6-7,9H,5H2,1-4H3,(H,10,11)
InChIKey
FKFMOXQPSHWSFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-Methylethyl)-2-[(1-methylethyl)amino]acetamide
CAS: 97454-48-3
CID: 13938989
Formula: C8H18N2O
MW: 158.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.24
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass158.141913202
Monoisotopic Mass158.141913202
Topological Polar Surface Area41.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity121
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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