CAS 7568-93-6|phenylethanolamine|alpha-(Aminomethyl)benzyl alcohol 98%|2-amino-1-phenylethan-1-ol|2-Amino-1-phenylethan-1-ol|beta-Hydroxyphenethylamine|2-Amino-1-phenylethanol|DL-β-HYDROXYPHENE...

General Information

Structure

Molecular Formula

C₈H₁₁NO

Molecular Mass

137.17904

Exact Mass

137.08406398

Charge

InChI

InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2

InChIKey

ULSIYEODSMZIPX-UHFFFAOYSA-N

Canonic Smiles

NCC(c1ccccc1)O

Isomeric Smiles

NCC(c1ccccc1)O

Calculated Properties

JChem

LogD (pH = 7.4)

-1.11

LogD (pH = 5.5)

-2.43

Log P

0.47

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

8.98

Polar Surface Area

46.25

Polarizability

15.18

Molar Refractivity

40.49

LOG S

-0.95

Data Source

Names and Identifiers

IUPAC Traditional name

phenylethanolamine β-phenylethanolamine β phenylethanolamine

Synonyms

alpha-(Aminomethyl)benzyl alcohol 98%2-Amino-1-phenylethan-1-olbeta-Hydroxyphenethylamine2-Amino-1-phenylethanolDL-β-HYDROXYPHENETHYLAMINEPhenylethanolaminePhenylethanolamineα-(Aminomethyl)benzyl alcoholDL-β-Hydroxyphenethylamineα-(氨基甲基)苄醇2-氨基-1-苯乙醇苯基乙醇胺2-Amino-1-phenylethanolDL-Phenylethanolamineβ-Hydroxyphenylethylamine2-氨基-1-苯乙醇(±)-2-Amino-1-phenylethanolDL-β-羟基苯乙胺(RS)-2-Amino-1-phenylethanolDL-β-Hydroxyphenethylamine(±)-Phenylethanolamineα-(Aminomethyl)benzenemethanolBisnorephedrineβ-Phenethanolamine(±)-1-Phenylethanolamine(±)-α-Phenylglycinol2-AMino-1-phenylethanolbeta-Phenethanolamine2-Hydroxy-2-phenylethylaminephenylethanolamine2-amino-1-phenylethanolPhenylethanolaminealpha-(aminomethyl)benzyl alcoholbeta-HydroxyphenethylamineBisnorephedrinealpha-(Aminomethyl)benzyl alcoholbeta-Hydroxy-beta-phenylethylamine2-Phenyl-2-hydroxyethylamine2-HydroxyphenethylaminePhenethanolaminebeta-Phenylethanolamine2-Amino-1-phenylethanol

IUPAC name

2-amino-1-phenylethan-1-ol

Names and Identifiers

Registration numbers

CAS Number

EC Number

MDL Number

PubChem CID

CHEBI ID

16343CHEBI:14781CHEBI:16343CHEBI:25989CHEBI:8095

Wikipedia Title

Chemspider ID

CHEMBL

KEGG ID

Beilstein Number

PubChem SID

24846258162079662248911948143427

UniProt Database

P40935Q06AU9P10938P10937P11086

MetaCyc Database

PHENYLETHANOLAMINE

PubMed Citation Links

31372387201021

NMRShiftDB Database

20032293

BRENDA Database

1.1.1.752.1.1.272.1.1.281.14.17.1

MetaboLights Database

MTBLS2224MTBLS1925MTBLS650MTBLS1115MTBLS379MTBLS1622MTBLS2279MTBLS2145MTBLS3657MTBLS3935MTBLS1714MTBLS3927MTBLS2406MTBLS1861MTBLS393

BRENDA Ligand Database

48288107327107587103866

BKMS React Database

10386648288107327107587

HMDB Database

HMDB0001065

Patent number

EP0940387EP1422218US2003143701US2005171197

CompTox Database

ACToR Database

SureChEMBL Database

SABIO-RK Database

Reaxys Registry

Drug Central Database

3,460

Registration numbers

Properties

Pharmacology Properties

Gene Information

human ... PNMT(5409)

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

MP Biomedicals

02157482

(2-Amino-1-phenylethanol; Phenylethanolamine)

Wikipedia

Phenylethanolamine

Sigma Aldrich

A72405

Packaging
10, 50 g in poly bottle

09190

General description
may contain 1-amino-2-phenylethanol

TRC

P321320

An intermediate in the manufacturing of pressor amines. The sulfate salt is used as topical vasoconstrictor.

ChEBI

CHEBI:16343

The simplest member of the class of phenylethanolamines that is 2-aminoethanol bearing a phenyl substituent at the 1-position. The parent of the phenylethanolamine class.

Molecule Details

References

PubChem Literature

From Data Sources

• Miyazaki, M., et al.: J. Biol. Chem., 278, 33904 (1999)

• Zhang, L., et al.: Biochem. J., 340, 255 (1999)

• Li, C., et al.: Bioorg. Med. Chem. Lett., 19, 5214 (1999)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

phenylethanolamine β-phenylethanolamine β phenylethanolamine

Synonyms

IUPAC name

2-amino-1-phenylethan-1-ol

Registration numbers

CAS Number

EC Number

MDL Number

PubChem CID

CHEBI ID

16343CHEBI:14781CHEBI:16343CHEBI:25989CHEBI:8095

Wikipedia Title

Chemspider ID

CHEMBL

KEGG ID

Beilstein Number

PubChem SID

24846258162079662248911948143427

UniProt Database

P40935Q06AU9P10938P10937P11086

MetaCyc Database

PHENYLETHANOLAMINE

PubMed Citation Links

31372387201021

NMRShiftDB Database

20032293

BRENDA Database

1.1.1.752.1.1.272.1.1.281.14.17.1

MetaboLights Database

MTBLS2224MTBLS1925MTBLS650MTBLS1115MTBLS379MTBLS1622MTBLS2279MTBLS2145MTBLS3657MTBLS3935MTBLS1714MTBLS3927MTBLS2406MTBLS1861MTBLS393

BRENDA Ligand Database

48288107327107587103866

BKMS React Database

10386648288107327107587

HMDB Database

HMDB0001065

Patent number

EP0940387EP1422218US2003143701US2005171197

CompTox Database

ACToR Database

SureChEMBL Database

SABIO-RK Database

Reaxys Registry

Drug Central Database

3,460

Molecule Details

MP Biomedicals

02157482

(2-Amino-1-phenylethanol; Phenylethanolamine)

Wikipedia

Phenylethanolamine

Sigma Aldrich

A72405

Packaging
10, 50 g in poly bottle

09190

General description
may contain 1-amino-2-phenylethanol

TRC

P321320

An intermediate in the manufacturing of pressor amines. The sulfate salt is used as topical vasoconstrictor.

ChEBI

CHEBI:16343

The simplest member of the class of phenylethanolamines that is 2-aminoethanol bearing a phenyl substituent at the 1-position. The parent of the phenylethanolamine class.

References

PubChem Literature

From Data Sources

• Miyazaki, M., et al.: J. Biol. Chem., 278, 33904 (1999)

• Zhang, L., et al.: Biochem. J., 340, 255 (1999)

• Li, C., et al.: Bioorg. Med. Chem. Lett., 19, 5214 (1999)

Bioactivity

PubChem BioAssay

Properties

Pharmacology Properties

Gene Information

human ... PNMT(5409)

Molecule

ID:92964