Home > Compound List > Compound details
456-05-3 molecular structure
click picture or here to close

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

ChemBase ID: 41554
Molecular Formular: C8H10FNO
Molecular Mass: 155.1695032
Monoisotopic Mass: 155.07464217
SMILES and InChIs

SMILES:
c1(ccc(cc1)F)C(O)CN
Canonical SMILES:
NCC(c1ccc(cc1)F)O
InChI:
InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2
InChIKey:
LPKXWVNNGWDLMT-UHFFFAOYSA-N

Cite this record

CBID:41554 http://www.chembase.cn/molecule-41554.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
IUPAC Traditional name
2-amino-1-(4-fluorophenyl)ethanol
Synonyms
2-Amino-1-(4-fluorophenyl)ethan-1-ol
4-Fluoro-beta-hydroxyphenethylamine
alpha-(Aminomethyl)-4-fluorobenzyl alcohol
2-amino-1-(4-fluorophenyl)ethanol
2-Amino-1-(4-fluorophenyl)-1-ethanol
CAS Number
456-05-3
MDL Number
MFCD08056632
PubChem SID
162046317
PubChem CID
9827

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

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
60 - 63 °C expand Show data source
60-63°C expand Show data source
65 - 67°C expand Show data source
Hydrophobicity(logP)
0.418 expand Show data source
Storage Condition
Store under N2 expand Show data source
Storage Warning
Corrosive/Harmful/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95% 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