Terbutaline Impurity 109

CAT: 1299-RM-T022109-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T022109-01Size:10 mg

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

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CAS Number

1428441-56-8

Synonyms

5- (2- (tert-butyl (hydroxy) amino) -1-hydroxyethyl) benzene-1,3-diol

Molecular Formula

C12H19NO4

Molecular Weight

241.29

Target Alternative Name

Terbutaline

Chemical Information

N-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-2-methylpropan-2-amine oxide

CAS Number	1428441-56-8
PubChem CID	102192823
IUPAC Name	N-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-2-methylpropan-2-amine oxide
Molecular Formula	C12H19NO4
Molecular Weight	241.28
XLogP	0.8
Topological Polar Surface Area	82.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	231

SMILES

CC(C)(C)[NH+](CC(C1=CC(=CC(=C1)O)O)O)[O-]

InChI

InChI=1S/C12H19NO4/c1-12(2,3)13(17)7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3

InChIKey

GEFLKBLXGUQYEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1428441-56-8

CID: 102192823

Formula: C12H19NO4

MW: 241.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.28
XLogP3	0.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	241.13140809
Monoisotopic Mass	241.13140809
Topological Polar Surface Area	82.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	231
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