Home > Compound List > Compound details
84145-28-8 molecular structure
click picture or here to close

2-amino-2-(2-fluorophenyl)acetic acid

ChemBase ID: 11960
Molecular Formular: C8H8FNO2
Molecular Mass: 169.1530232
Monoisotopic Mass: 169.05390672
SMILES and InChIs

SMILES:
C(C(=O)O)(N)c1c(F)cccc1
Canonical SMILES:
OC(=O)C(c1ccccc1F)N
InChI:
InChI=1S/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKey:
CGNMJIBUVDGMIY-UHFFFAOYSA-N

Cite this record

CBID:11960 http://www.chembase.cn/molecule-11960.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-2-(2-fluorophenyl)acetic acid
IUPAC Traditional name
amino(2-fluorophenyl)acetic acid
Synonyms
(2-Fluorophenyl)glycine
2-Fluoro-DL-α-phenylglycine
2-Fluorophenylglycine 97%
amino(2-fluorophenyl)acetic acid
2-amino-2-(2-fluorophenyl)acetic acid
2-氟-DL-α-苯基甘氨酸
CAS Number
84145-28-8
2343-27-3
MDL Number
MFCD00042726
Beilstein Number
3031716
PubChem SID
24852571
160975267
PubChem CID
580073

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.5755912  H Acceptors
H Donor LogD (pH = 5.5) -1.3303765 
LogD (pH = 7.4) -1.368114  Log P -1.3301233 
Molar Refractivity 40.5777 cm3 Polarizability 15.775104 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
229 - 231°C expand Show data source
290 °C (subl.)(lit.) expand Show data source
290°C expand Show data source
Partition Coefficient
-1.45973 expand Show data source
Hydrophobicity(logP)
-1.552 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Linear Formula
FC6H4CH(NH2)COOH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 209503 external link
Packaging
10 g in glass bottle

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