Labetalol Impurity 8

CAT: 1596-AR-L06352-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L06352-01Size:10 Units

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CAS Number

4275-43-8

Synonyms

1,3-Diphenylpropan-2-amine

Molecular Formula

C15H17N

Molecular Weight

211.31

API Name

Labetalol

Chemical Information

1,3-Diphenyl-2-aminopropane

structure given in the first source

CAS Number	4275-43-8
PubChem CID	77960
IUPAC Name	1,3-diphenylpropan-2-amine
Molecular Formula	C15H17N
Molecular Weight	211.30
XLogP	3.4
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	158

SMILES

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)N

InChI

InChI=1S/C15H17N/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12,16H2

InChIKey

BWYYVSNVUCFQQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4275-43-8

CID: 77960

Formula: C15H17N

MW: 211.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.30
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	211.136099547
Monoisotopic Mass	211.136099547
Topological Polar Surface Area	26 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	158
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
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
AR-L01014-01	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
AR-L06113-01	Labetalol EP Impurity D HCl