Mirabegron Impurity 67

CAT: 1299-RM-M154292-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M154292-04Size:100 mg

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CAS Number

83148-11-2

Synonyms

(E) -2-phenylethen-1-amine

Molecular Formula

C8H9N

Molecular Weight

119.17

Target Alternative Name

Mirabegron

Product Name Synonym

(E) -2-phenylethen-1-amine

Chemical Information

Styrylamine

CAS Number	83148-11-2
PubChem CID	6440405
IUPAC Name	(E)-2-phenylethenamine
Molecular Formula	C8H9N
Molecular Weight	119.16
XLogP	1.6
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	90

SMILES

C1=CC=C(C=C1)/C=C/N

InChI

InChI=1S/C8H9N/c9-7-6-8-4-2-1-3-5-8/h1-7H,9H2/b7-6+

InChIKey

UWRZIZXBOLBCON-VOTSOKGWSA-N

Chemical Structure

2D Structure

CAS: 83148-11-2

CID: 6440405

Formula: C8H9N

MW: 119.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	119.16
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	119.073499291
Monoisotopic Mass	119.073499291
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	90.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-M01980-01	Mirabegron Enantiomer (Mirabegron EP Impurity A)
AR-M02015-01	Mirabegron Impurity 26
AR-M02016-01	Mirabegron Impurity 27
AR-M02020-01	Mirabegron Impurity 31
AR-M02018-01	Mirabegron Impurity 29
HY-W103960-01	Mirabegron impurity-1
AR-M02023-01	Mirabegron Impurity 34
AR-M01982-01	Mirabegron Impurity 3
AR-M02006-01	Mirabegron Impurity 19
AR-M02008-01	Mirabegron Impurity 21