USD $9.00-99.00 / Kilogram
USD $6.00-9.00 / Gram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $100.00-150.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $6.00-10.00 / Kilogram
identification and related records
【name】
urea,1,1'-m-phenylenebis[3-[p-(n,n'-dimethylamidino)phenyl]-,dihydrochloride (7ci,8ci)
【cas registry number】
5262-16-8
【molecular formula】
c26h30 n8 o2 . 2 cl h (products with the same molecular formula)
【molecular weight】
486.5688
【inchi】
inchi=1/c26h30n8o2/c1-27-23(28-2)17-8-12-19(13-9-17)31-25(35)33-21-6-5-7-22(16-21)34-26(36)32-20-14-10-18(11-15-20)24(29-3)30-4/h5-16h,1-4h3,(h,27,28)(h,29,30)(h2,31,33,35)(h2,32,34,36)
【canonical smiles】
cnc(=nc)c1=cc=c(c=c1)nc(=o)nc2=cc(=cc=c2)nc(=o)nc3=cc=c(c=c3)c(=nc)nc.[cl-]
【isomers smiles】
cnc(=nc)c1=cc=c(c=c1)nc(=o)nc2=cc(=cc=c2)nc(=o)nc3=cc=c(c=c3)c(=nc)nc.
[cl-]
chemical and physical properties
【density】
1.23g/cm3
【boiling point】
580.1°cat760mmhg
【refractive index】
1.63
【flash point】
304.7°c
【computed properties】
molecular weight:522.0218 [g/mol]
molecular formula:c26h30cln8o2-
h-bond donor:6
h-bond acceptor:5
rotatable bond count:8
tautomer count:15
exact mass:521.218025
monoisotopic mass:521.218025
topological polar surface area:131
heavy atom count:37
formal charge:-1
complexity:708
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:2