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Sitafloxacin Impurity 30

CAT: 1299-RM-S111656-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S111656-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144282-35-9
Synonyms
(S) -5-benzyl-5-azaspiro[2.4]heptan-7-amine
Molecular Formula
C13H18N2
Molecular Weight
202.3
Target Alternative Name
Sitafloxacin
Product Name Synonym
(S) -5-benzyl-5-azaspiro[2.4]heptan-7-amine

Chemical Information

(S)-5-Benzyl-5-azaspiro[2.4]heptan-7-amine
CAS Number144282-35-9
PubChem CID10822001
IUPAC Name(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-amine
Molecular FormulaC13H18N2
Molecular Weight202.30
XLogP1.3
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity229
SMILES
C1CC12CN(C[C@H]2N)CC3=CC=CC=C3
InChI
InChI=1S/C13H18N2/c14-12-9-15(10-13(12)6-7-13)8-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2/t12-/m1/s1
InChIKey
PGEGEJNTABPWJH-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of (S)-5-Benzyl-5-azaspiro[2.4]heptan-7-amine
CAS: 144282-35-9
CID: 10822001
Formula: C13H18N2
MW: 202.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.30
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass202.146998583
Monoisotopic Mass202.146998583
Topological Polar Surface Area29.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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