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Ibandronate Impurity 17

CAT: 1299-RM-I021417-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I021417-02Size:25 mg
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CAS Number
205237-07-6
Synonyms
3- (pentylamino) propanoic acid
Molecular Formula
C8H17NO2
Molecular Weight
159.23
Target Alternative Name
Ibandronate
Product Name Synonym
3- (pentylamino) propanoic acid

Chemical Information

3-(Pentylamino)propanoic acid
CAS Number205237-07-6
PubChem CID28830294
IUPAC Name3-(pentylamino)propanoic acid
Molecular FormulaC8H17NO2
Molecular Weight159.23
XLogP-1.2
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count11
Formal Charge0
Complexity104
SMILES
CCCCCNCCC(=O)O
InChI
InChI=1S/C8H17NO2/c1-2-3-4-6-9-7-5-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKey
HLIKIPDETHLRHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Pentylamino)propanoic acid
CAS: 205237-07-6
CID: 28830294
Formula: C8H17NO2
MW: 159.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.23
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass159.125928785
Monoisotopic Mass159.125928785
Topological Polar Surface Area49.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity104
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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