Home > Compound List > Compound details
119584-70-2 molecular structure
click picture or here to close

5-fluoroquinazoline-2,4-diamine

ChemBase ID: 8772
Molecular Formular: C8H7FN4
Molecular Mass: 178.1663832
Monoisotopic Mass: 178.06547446
SMILES and InChIs

SMILES:
n1c(c2c(nc1N)cccc2F)N
Canonical SMILES:
Nc1nc2cccc(c2c(n1)N)F
InChI:
InChI=1S/C8H7FN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13)
InChIKey:
ZFIDHZVBIBPRBQ-UHFFFAOYSA-N

Cite this record

CBID:8772 http://www.chembase.cn/molecule-8772.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoroquinazoline-2,4-diamine
IUPAC Traditional name
5-fluoroquinazoline-2,4-diamine
Synonyms
5-Fluoro-2,4-quinazolinediamine
2,4-Diamino-5-fluoroquinazoline
5-Fluoroquinazoline-2,4-diamine
2,4-Diamino-5-fluoroquinazoline
5-Fluoro-2,4-diaMinoquinazoline
2,4-二氨基-5-氟喹唑啉
CAS Number
119584-70-2
915402-30-1
MDL Number
MFCD00221785
Beilstein Number
3590571
PubChem SID
160972079
PubChem CID
456246

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.25905  H Acceptors
H Donor LogD (pH = 5.5) -0.003193112 
LogD (pH = 7.4) 1.0941243  Log P 1.1831561 
Molar Refractivity 48.6772 cm3 Polarizability 17.98182 Å3
Polar Surface Area 77.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
245-248°C expand Show data source
245-248°C expand Show data source
248 - 250 °C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
RTECS
VA1367730 expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
>95% expand Show data source
97% 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