Labetalol Impurity 48

CAT: 1299-RM-L010248-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L010248-01Size:10 mg

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

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CAS Number

52846-75-0

Synonyms

4- (3-aminobutyl) phenol

Molecular Formula

C10H15NO

Molecular Weight

165.24

Target Alternative Name

Labetalol

Product Name Synonym

4- (3-aminobutyl) phenol

Chemical Information

4-(3-Aminobutyl)phenol

CAS Number	52846-75-0
PubChem CID	9793924
IUPAC Name	4-(3-aminobutyl)phenol
Molecular Formula	C10H15NO
Molecular Weight	165.23
XLogP	1.7
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	119

SMILES

CC(CCC1=CC=C(C=C1)O)N

InChI

InChI=1S/C10H15NO/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,12H,2-3,11H2,1H3

InChIKey

WNTVTQIJPAFZEL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52846-75-0

CID: 9793924

Formula: C10H15NO

MW: 165.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.23
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	165.115364102
Monoisotopic Mass	165.115364102
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	119
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

Catalog	Name
AR-L06352-01	Labetalol Impurity 8
AR-L06071-01	Labetalol EP Impurity A
AR-L06358-01	Labetalol Impurity 10
AR-L06353-01	Labetalol Impurity 9
AR-L06351-01	Labetalol Impurity 6
AR-L01015-01	Labetalol EP Impurity D
IL170154-01	Labetalol EP Impurity C
AR-L06070-01	Labetalol Cyclohexyl Impurity HCl
AR-L06362-01	Labetalol Impurity 7 HCl
AR-L01011-01	Labetalol EP Impurity F HCl