Alogliptin Related Compound 34

CAT: 1596-AR-A06005-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06005-01Size:10 Units

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CAS Number

22038-87-5

Molecular Formula

C8H10N2O2

Molecular Weight

166.18

API Name

Alogliptin

Chemical Information

(R)-1-(4-Nitrophenyl)ethanamine

CAS Number	22038-87-5
PubChem CID	1268056
IUPAC Name	(1R)-1-(4-nitrophenyl)ethanamine
Molecular Formula	C8H10N2O2
Molecular Weight	166.18
XLogP	1.3
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	159

SMILES

C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C8H10N2O2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-6H,9H2,1H3/t6-/m1/s1

InChIKey

RAEVOBPXEHVUFY-ZCFIWIBFSA-N

Chemical Structure

2D Structure

CAS: 22038-87-5

CID: 1268056

Formula: C8H10N2O2

MW: 166.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.18
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	166.074227566
Monoisotopic Mass	166.074227566
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A01729-01	Alogliptin Related Compound 23
AR-A01707-01	Alogliptin Related Compound 2
AR-A01738-01	Alogliptin Related Compound 32
AR-A01718-01	Alogliptin Related Compound 13
AR-A01715-01	Alogliptin Related Compound 10
AR-A01724-01	Alogliptin Related Compound 18
AR-A01713-01	Alogliptin Related Compound 8
AR-A01722-01	Alogliptin Related Compound 16
AR-A01728-01	Alogliptin Related Compound 22
AR-A01735-01	Alogliptin Related Compound 29

Catalog	Name
CS-O-57957	Di-Nitroso Alogliptin Related Compound 12
CS-O-52431	N-Nitroso Alogliptin Related Compound 12
CS-EG-03533	Tramadol Related Compound A
LBA32143-01	Naphazoline Related Compound A
KCA72991-01	Trimethoprim Related Compound A
IH181667-01	Hyoscyamine related compound A
FCA19889-01	Clonazepam related compound A
GAA53882-01	Levocarnitine Related Compound A
GAA34172-01	Flurbiprofen Related Compound A
ABA45153-01	Felbamate Related Compound A