Home > Compound List > Compound details
403-28-1 molecular structure
click picture or here to close

2-amino-1-(4-fluorophenyl)ethan-1-ol hydrochloride

ChemBase ID: 99363
Molecular Formular: C8H11ClFNO
Molecular Mass: 191.6304432
Monoisotopic Mass: 191.05131988
SMILES and InChIs

SMILES:
Fc1ccc(cc1)C(O)CN.Cl
Canonical SMILES:
NCC(c1ccc(cc1)F)O.Cl
InChI:
InChI=1S/C8H10FNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4,8,11H,5,10H2;1H
InChIKey:
PNSJHCBYUNINNI-UHFFFAOYSA-N

Cite this record

CBID:99363 http://www.chembase.cn/molecule-99363.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-1-(4-fluorophenyl)ethan-1-ol hydrochloride
IUPAC Traditional name
2-amino-1-(4-fluorophenyl)ethanol hydrochloride
Synonyms
2-Amino-1-(4-fluorophenyl)ethan-1-ol hydrochloride
4-Fluoro-beta-hydroxyphenethylamine hydrochloride
alpha-(Aminomethyl)-4-fluorobenzyl alcohol hydrochloride
CAS Number
403-28-1
MDL Number
MFCD01664398
PubChem SID
162085631
PubChem CID
9826

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC6965 external link Add to cart Please log in.
Data Source Data ID
PubChem 9826 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.088569  H Acceptors
H Donor LogD (pH = 5.5) -2.3248286 
LogD (pH = 7.4) -1.1099223  Log P 0.61138123 
Molar Refractivity 40.7103 cm3 Polarizability 15.817458 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant/Keep Cold/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle