Procaterol Impurity 16

CAT: 1596-AR-P32617-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P32617-02Size:25 Units

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CAS Number

63483-95-4

Molecular Formula

C13H16N2O3

Molecular Weight

248.28

API Name

Procaterol

Chemical Information

Desisopropylprocaterol

CAS Number	63483-95-4
PubChem CID	152020
IUPAC Name	5-(2-amino-1-hydroxybutyl)-8-hydroxy-1H-quinolin-2-one
Molecular Formula	C13H16N2O3
Molecular Weight	248.28
XLogP	0.1
Topological Polar Surface Area	95.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	345

SMILES

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)N

InChI

InChI=1S/C13H16N2O3/c1-2-9(14)13(18)8-3-5-10(16)12-7(8)4-6-11(17)15-12/h3-6,9,13,16,18H,2,14H2,1H3,(H,15,17)

InChIKey

PNWVJRLGSQVYBD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63483-95-4

CID: 152020

Formula: C13H16N2O3

MW: 248.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.28
XLogP3	0.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	248.11609238
Monoisotopic Mass	248.11609238
Topological Polar Surface Area	95.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	345
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes