Alogliptin Impurity D

CAT: 1299-RM-A120704-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A120704-02Size:25 mg

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CAS Number

1353254-17-7

Synonyms

(R) -2- ((3-aminopiperidin-1-yl) methyl) benzonitrile

Molecular Formula

C13H17N3

Molecular Weight

215.29

Target Alternative Name

Alogliptin

Product Name Synonym

(R) -2- ((3-aminopiperidin-1-yl) methyl) benzonitrile

Chemical Information

N1-(2-Cyanobenzyl)-3-aminopiperidine

CAS Number	1353254-17-7
PubChem CID	60137034
IUPAC Name	2-[(3-aminopiperidin-1-yl)methyl]benzonitrile
Molecular Formula	C13H17N3
Molecular Weight	215.29
XLogP	1.1
Topological Polar Surface Area	53.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	268

SMILES

C1CC(CN(C1)CC2=CC=CC=C2C#N)N

InChI

InChI=1S/C13H17N3/c14-8-11-4-1-2-5-12(11)9-16-7-3-6-13(15)10-16/h1-2,4-5,13H,3,6-7,9-10,15H2

InChIKey

UMPGXWIAFSBUSD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1353254-17-7

CID: 60137034

Formula: C13H17N3

MW: 215.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.29
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	215.142247555
Monoisotopic Mass	215.142247555
Topological Polar Surface Area	53.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes