200,000+ products from a single source!
sales@angenechem.com
21055-88-9 | Carbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-bis[2-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]ethyl] ester
CAS No: 21055-88-9 Catalog No: AG002KVO MDL No:
Product Description
Catalog Number:
AG002KVO
Chemical Name:
Carbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-bis[2-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]ethyl] ester
CAS Number:
21055-88-9
Molecular Formula:
C33H24F34N4O8S2--
Molecular Weight:
1314.6414
IUPAC Name:
2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl N-[3-[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethoxycarbonylamino]-4-methylphenyl]carbamate
InChI:
InChI=1S/C33H26F34N4O8S2/c1-4-70(80(74,75)32(64,65)28(54,55)24(46,47)20(38,39)18(34,35)22(42,43)26(50,51)30(58,59)60)8-10-78-16(72)68-14-7-6-13(3)15(12-14)69-17(73)79-11-9-71(5-2)81(76,77)33(66,67)29(56,57)25(48,49)21(40,41)19(36,37)23(44,45)27(52,53)31(61,62)63/h6-7,12H,4-5,8-11H2,1-3H3,(H,68,72)(H,69,73)
InChI Key:
UTFFCBMSUHQFKN-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCN(c1ccc(c(c1)N(C(=O)[O-])CCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC)C)C(=O)[O-]
EC Number:
244-181-6
Properties
Complexity:
2440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1316.065g/mol
Formal Charge:
0
Heavy Atom Count:
81
Hydrogen Bond Acceptor Count:
44
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
1316.657g/mol
Monoisotopic Mass:
1316.065g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.