Imidafenacin Impurity 11

CAT: 1299-RM-I130111-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I130111-01Size:10 mg

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

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CAS Number

191592-57-1

Synonyms

2,2-diphenylbut-3-enenitrile

Molecular Formula

C16H13N

Molecular Weight

219.28

Target Alternative Name

Imidafenacin

Product Name Synonym

2,2-diphenylbut-3-enenitrile

Chemical Information

2,2-Diphenylbut-3-enenitrile

CAS Number	191592-57-1
PubChem CID	10998529
IUPAC Name	2,2-diphenylbut-3-enenitrile
Molecular Formula	C16H13N
Molecular Weight	219.28
XLogP	3.9
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	279

SMILES

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

InChI

InChI=1S/C16H13N/c1-2-16(13-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12H,1H2

InChIKey

RFVQOMZOVYJFRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 191592-57-1

CID: 10998529

Formula: C16H13N

MW: 219.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.28
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	219.104799419
Monoisotopic Mass	219.104799419
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	279
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-I03368-01	Imidafenacin Impurity 4
AR-I03367-01	Imidafenacin Impurity 18 HBr
BA5502-100	Imidafenacin
T86715-01	Imidafenacin hydrochloride
TRC-I275013-100MG	Imidafenacin-d10
HY-B0662R-01	Imidafenacin (Standard)
TRC-I275014-50MG	Imidafenacin-d13
A15490-50	Imidafenacin 50mg
A15490-25	Imidafenacin 25mg