Alogliptin Impurity 4

CAT: 1596-AR-A06017-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06017-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

172603-05-3

Synonyms

Tert-butyl piperidin-3-ylcarbamate

Molecular Formula

C10H20N2O2

Molecular Weight

200.28

API Name

Alogliptin

Chemical Information

3-(Boc-amino)piperidine

CAS Number	172603-05-3
PubChem CID	4233041
IUPAC Name	tert-butyl N-piperidin-3-ylcarbamate
Molecular Formula	C10H20N2O2
Molecular Weight	200.28
XLogP	1.1
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	199

SMILES

CC(C)(C)OC(=O)NC1CCCNC1

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)

InChIKey

WUOQXNWMYLFAHT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 172603-05-3

CID: 4233041

Formula: C10H20N2O2

MW: 200.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.28
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	200.152477885
Monoisotopic Mass	200.152477885
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	199
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