Acebutolol EP Impurity A

CAT: 1596-AR-A01095-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-A01095-01Size:10 Units

Selected

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

Quick Request Actions

CAS Number

28197-66-2

Synonyms

N- (3-acetyl-4- (oxiran-2-ylmethoxy) phenyl) butyramide; Acebutolol Epoxypropoxy Impurity ; 3'-Acetyl-4'- (2,3-epoxypropoxy) -butyranilide

Molecular Formula

C15H19NO4

Molecular Weight

277.32

API Name

Acebutolol

Chemical Information

N-(3-acetyl-4-(oxiranylmethoxy)phenyl)butyramide

CAS Number	28197-66-2
PubChem CID	119888
IUPAC Name	N-[3-acetyl-4-(oxiran-2-ylmethoxy)phenyl]butanamide
Molecular Formula	C15H19NO4
Molecular Weight	277.31
XLogP	1.7
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	358

SMILES

CCCC(=O)NC1=CC(=C(C=C1)OCC2CO2)C(=O)C

InChI

InChI=1S/C15H19NO4/c1-3-4-15(18)16-11-5-6-14(13(7-11)10(2)17)20-9-12-8-19-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,18)

InChIKey

MFGKLROXINRXIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28197-66-2

CID: 119888

Formula: C15H19NO4

MW: 277.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.31
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	277.13140809
Monoisotopic Mass	277.13140809
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	358
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