Acebutolol EP Impurity D

CAT: 1299-RM-A022004-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A022004-01Size:10 mg

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

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CAS Number

57898-80-3

Synonyms

1-[5-Amino-2-[ (2RS) -2-hydroxy-3-[ (1-methylethyl) amino]propoxy]phenyl]ethanone

Molecular Formula

C14H22N2O3

Molecular Weight

266.34

Target Alternative Name

Acebutolol

Product Name Synonym

1-[5-Amino-2-[ (2RS) -2-hydroxy-3-[ (1-methylethyl) amino]propoxy]phenyl]ethanone

Chemical Information

Deacyl acebutolol

CAS Number	57898-80-3
PubChem CID	155703
IUPAC Name	1-[5-amino-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
Molecular Formula	C14H22N2O3
Molecular Weight	266.34
XLogP	1.1
Topological Polar Surface Area	84.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	19
Formal Charge	0
Complexity	284

SMILES

CC(C)NCC(COC1=C(C=C(C=C1)N)C(=O)C)O

InChI

InChI=1S/C14H22N2O3/c1-9(2)16-7-12(18)8-19-14-5-4-11(15)6-13(14)10(3)17/h4-6,9,12,16,18H,7-8,15H2,1-3H3

InChIKey

DBUJVRULIBQHKT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57898-80-3

CID: 155703

Formula: C14H22N2O3

MW: 266.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.34
XLogP3	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	266.16304257
Monoisotopic Mass	266.16304257
Topological Polar Surface Area	84.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	284
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