Prucalopride Impurity 21

CAT: 1596-AR-P33140-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P33140-01Size:10 Units

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CAS Number

13035-19-3

Molecular Formula

C5H12N2

Molecular Weight

100.17

API Name

Prucalopride

Chemical Information

4-Piperidinamine

structure in first source

CAS Number	13035-19-3
PubChem CID	424361
IUPAC Name	piperidin-4-amine
Molecular Formula	C5H12N2
Molecular Weight	100.16
XLogP	-0.6
Topological Polar Surface Area	38.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	48

SMILES

C1CNCCC1N

InChI

InChI=1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2

InChIKey

BCIIMDOZSUCSEN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13035-19-3

CID: 424361

Formula: C5H12N2

MW: 100.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.16
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	100.100048391
Monoisotopic Mass	100.100048391
Topological Polar Surface Area	38.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	48
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
RM-P181231-01	Prucalopride Impurity 31
RM-P181227-01	Prucalopride Impurity 27
RM-P181201-01	Prucalopride Succinate Impurity A
RM-P181263-01	Prucalopride Impurity 63
RM-P181219-01	Prucalopride Impurity S
RM-P181225-01	Prucalopride Impurity Y
RM-P181222-01	Prucalopride Impurity V
RM-P181256-01	Prucalopride Impurity 56
RM-P181259-01	Prucalopride Impurity 59
RM-P181218-01	Prucalopride Impurity R