Phenylethanolamine A

CAT: 0926-WDC74681-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-WDC74681-03Size:25 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

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 Number	1346746-81-3
PubChem CID	71751093
IUPAC Name	1-(4-methoxyphenyl)-2-[4-(4-nitrophenyl)butan-2-ylamino]ethanol
Molecular Formula	C19H24N2O4
Molecular Weight	344.4
XLogP	3.2
Topological Polar Surface Area	87.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	25
Formal Charge	0
Complexity	385

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

CAS: 1346746-81-3

CID: 71751093

Formula: C19H24N2O4

MW: 344.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	344.4
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	344.17360725
Monoisotopic Mass	344.17360725
Topological Polar Surface Area	87.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	385
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
MBS5799338	Phenylethanolamine A
HY-131103R	Phenylethanolamine A (Standard)
HY-131103S-01	Phenylethanolamine A-d3
286850-01	DL-Phenylethanolamine
DAG-WT1083O	Phenylethanolamine A [OVA]
DAG-WT1083K-01	Phenylethanolamine A [KLH]
CSB-EFD028239-01	Phenylethanolamine A ELISA kit
HY-W744686	DL-Phenylethanolamine-d8
MBS6056956-01	DL-Phenylethanolamine-d5
SGN56504	Phenylethanolamine, OVA conjugated

Phenylethanolamine A

Chemical Information

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