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Ibandronate Impurity 41

CAT: 1299-RM-I021441-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I021441-02Size:25 mg
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CAS Number
26153-88-8
Synonyms
N, N-dimethylpentan-1-amine
Molecular Formula
C7H17N
Molecular Weight
115.22
Target Alternative Name
Ibandronate
Product Name Synonym
N, N-dimethylpentan-1-amine

Chemical Information

N,N-Dimethyl-1-pentanamine
CAS Number26153-88-8
PubChem CID151479
IUPAC NameN,N-dimethylpentan-1-amine
Molecular FormulaC7H17N
Molecular Weight115.22
XLogP2.1
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity41
SMILES
CCCCCN(C)C
InChI
InChI=1S/C7H17N/c1-4-5-6-7-8(2)3/h4-7H2,1-3H3
InChIKey
IDFANOPDMXWIOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethyl-1-pentanamine
CAS: 26153-88-8
CID: 151479
Formula: C7H17N
MW: 115.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.22
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass115.136099547
Monoisotopic Mass115.136099547
Topological Polar Surface Area3.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity41.7
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

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