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Metoprolol EP Impurity M

CAT: 1299-RM-M161811-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M161811-01Size:10 mg
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CAS Number
343785-33-1
Synonyms
1,3-bis (isopropylamino) propan-2-ol
Molecular Formula
C9H22N2O
Molecular Weight
174.29
Target Alternative Name
Metoprolol
Product Name Synonym
1,3-bis (isopropylamino) propan-2-ol

Chemical Information

1,3-Bis((1-methylethyl)amino)propan-2-ol
CAS Number343785-33-1
PubChem CID273840
IUPAC Name1,3-bis(propan-2-ylamino)propan-2-ol
Molecular FormulaC9H22N2O
Molecular Weight174.28
XLogP0.3
Topological Polar Surface Area44.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity92
SMILES
CC(C)NCC(CNC(C)C)O
InChI
InChI=1S/C9H22N2O/c1-7(2)10-5-9(12)6-11-8(3)4/h7-12H,5-6H2,1-4H3
InChIKey
KUKNLWUAKYIWDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Bis((1-methylethyl)amino)propan-2-ol
CAS: 343785-33-1
CID: 273840
Formula: C9H22N2O
MW: 174.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight174.28
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass174.173213330
Monoisotopic Mass174.173213330
Topological Polar Surface Area44.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity92.7
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