Ebastine Impurity 5

CAT: 1596-AR-E09242-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E09242-01Size:10 Units

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CAS Number

38675-79-5

Molecular Formula

C14H18O

Molecular Weight

202.30

API Name

Ebastine

Chemical Information

4-tert-Butylphenyl cyclopropyl ketone

CAS Number	38675-79-5
PubChem CID	98737
IUPAC Name	(4-tert-butylphenyl)-cyclopropylmethanone
Molecular Formula	C14H18O
Molecular Weight	202.29
XLogP	3.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	237

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CC2

InChI

InChI=1S/C14H18O/c1-14(2,3)12-8-6-11(7-9-12)13(15)10-4-5-10/h6-10H,4-5H2,1-3H3

InChIKey

XVDLXILLBPXUPJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38675-79-5

CID: 98737

Formula: C14H18O

MW: 202.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.29
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	202.135765193
Monoisotopic Mass	202.135765193
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
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-E09241-01	Ebastine Impurity 4
AR-E09240-01	Ebastine Impurity 3
AR-E09239-01	Ebastine Impurity 2
AR-E01015-01	Ebastine Impurity 1
AR-E01011-01	Ebastine EP Impurity F
AR-E01016-01	Ebastine EP Impurity D
AR-E02309-01	Ebastine EP Impurity E
AR-E01010-01	Ebastine EP Impurity B
AR-E01012-01	Ebastine EP Impurity G
AR-E02308-01	Ebastine EP Impurity C Hydrochloride