Niraparib Impurity 4

CAT: 1596-AR-N08799-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N08799-01Size:10 Units

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CAS Number

1334823-70-9

Synonyms

(R) -4- (Piperidin-3-yl) aniline

Molecular Formula

C14H22N4O

Molecular Weight

176.26

API Name

Niraparib

Chemical Information

(R)-4-(Piperidin-3-YL)aniline

CAS Number	1334823-70-9
PubChem CID	40427558
IUPAC Name	4-[(3R)-piperidin-3-yl]aniline
Molecular Formula	C11H16N2
Molecular Weight	176.26
XLogP	1.4
Topological Polar Surface Area	38.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	150

SMILES

C1C[C@@H](CNC1)C2=CC=C(C=C2)N

InChI

InChI=1S/C11H16N2/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10,13H,1-2,7-8,12H2/t10-/m0/s1

InChIKey

COUOFYDJUDASPJ-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 1334823-70-9

CID: 40427558

Formula: C11H16N2

MW: 176.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.26
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	176.131348519
Monoisotopic Mass	176.131348519
Topological Polar Surface Area	38.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	150
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-N08800-01	Niraparib Impurity 5
AR-N08798-01	Niraparib Impurity 3
AR-N08797-01	Niraparib Impurity 2
AR-N08801-01	Niraparib Impurity 6
AR-N08796-01	Niraparib Impurity 1 N-Glucuronide
AR-N08803-01	Niraparib Impurity 7 (Mixture of Isomers)
AR-N08806-01	Niraparib Impurity 1 Acyl Glucuronide
AR-N08809-01	N-Nitroso Niraparib Impurity 1
AR-N08802-01	Niraparib Impurity 7 (E-Isomer)
AR-N01636-01	Niraparib