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Phenylethanolamine A

CAT: 0926-WDC74681-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-WDC74681-01Size:5 mg
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CAS Number
1346746-81-3
Smiles
CC (CCC1=CC=C (C=C1) [N+] (=O) [O-]) NCC (C2=CC=C (C=C2) OC) O
Molecular Formula
C19H24N2O4
Molecular Weight
344.4 g/mol
Controlled
No

Chemical Information

1-(4-Methoxyphenyl)-2-((4-(4-nitrophenyl)butan-2-yl)amino)ethanol

1-(4-methoxyphenyl)-2-{[4-(4-nitrophenyl)butan-2-yl]amino}ethanol is a member of the class of phenylethanolamines that is phenylethanolamine in which the the phenyl group is substituted at the para- position by a methoxy group, while the am no group is substituted by a 4-(p-nitrophenyl)butan-2-yl group. A beta-adrenergic agonist that has been used illegally in China as an animal feed additive to as a growth promotion to enhance the the lean meat-to-fat ratio for livestock. It has a role as a beta-adrenergic agonist and an animal growth promotant. It is a member of phenylethanolamines, an aromatic ether, a secondary alcohol, a C-nitro compound and a secondary amino compound.

CAS Number1346746-81-3
PubChem CID71751093
IUPAC Name1-(4-methoxyphenyl)-2-[4-(4-nitrophenyl)butan-2-ylamino]ethanol
Molecular FormulaC19H24N2O4
Molecular Weight344.4
XLogP3.2
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity385
SMILES
CC(CCC1=CC=C(C=C1)[N+](=O)[O-])NCC(C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C19H24N2O4/c1-14(3-4-15-5-9-17(10-6-15)21(23)24)20-13-19(22)16-7-11-18(25-2)12-8-16/h5-12,14,19-20,22H,3-4,13H2,1-2H3
InChIKey
DVUFPRMEKXKECP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Methoxyphenyl)-2-((4-(4-nitrophenyl)butan-2-yl)amino)ethanol
CAS: 1346746-81-3
CID: 71751093
Formula: C19H24N2O4
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass344.17360725
Monoisotopic Mass344.17360725
Topological Polar Surface Area87.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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