USD $15.00-50.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $3.00-10.00 / Kilogram
USD $3.00-10.00 / Kilogram
identification and related records
【name】
4,5-diamino-1,2-dihydropyrazol-3-one
【cas registry number】
52057-97-3
【synonyms】
3,4-diamino-5-hydroxypyrazol sulfat
3,4-diamino-5-pyrazolol sulfate
3,4-diaminopyrazole-5-ol sulphate
3,4-diamino-5-hydroxypyrazolesulphate,>95%
【einecs(ec#)】
306-626-3
【molecular formula】
c3h6n4o (products with the same molecular formula)
【molecular weight】
212.18442
【inchi】
inchi=1/c3h6n4o/c4-1-2(5)6-7-3(1)8/h4h2,(h4,5,6,7,8)
【canonical smiles】
c1(=c(nnc1=o)n)n
【mol file】
52057-97-3.mol
chemical and physical properties
【density】
1.396g/cm3
【melting point】
208 °c
【boiling point】
521.5°c at 760 mmhg
【refractive index】
1.584
【flash point】
269.2°c
【computed properties】
molecular weight:114.10594 [g/mol]
molecular formula:c3h6n4o
xlogp3-aa:-1.2
h-bond donor:4
h-bond acceptor:4
rotatable bond count:0
tautomer count:17
exact mass:114.054161
monoisotopic mass:114.054161
topological polar surface area:93.2
heavy atom count:8
formal charge:0
complexity:161
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:1
feature 3d donor count:4
feature 3d cation count:2
feature 3d ring count:1
effective rotor count:0
conformer sampling rmsd:0.4
cid conformer count:1