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Home > Imidazoles > 68400-38-4
68400-38-4 | 1-(imidazolidin-1-yl)icosyl carbamate- ethyl dihydrogen phosphate(1:1)
CAS No: 68400-38-4 Catalog No: AG006KL0 MDL No:
Product Description
Catalog Number:
AG006KL0
Chemical Name:
1-(imidazolidin-1-yl)icosyl carbamate- ethyl dihydrogen phosphate(1:1)
CAS Number:
68400-38-4
Molecular Formula:
C26H56N3O6P
Molecular Weight:
537.7131
IUPAC Name:
trisodium;7-[[4-[(4-aminophenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate
InChI:
InChI=1S/C22H17N5O9S3.3Na/c23-13-1-3-14(4-2-13)24-25-15-5-7-16(8-6-15)26-27-17-9-19-20(21(10-17)38(31,32)33)11-18(37(28,29)30)12-22(19)39(34,35)36;;;/h1-12H,23H2,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3
InChI Key:
RERCKWQOVYFXFL-UHFFFAOYSA-K
SMILES:
CCOP(=O)(O)O.CCCCCCCCCCCCCCCCCCCC(N1CNCC1)OC(=O)N
EC Number:
270-027-2
Properties
Complexity:
1190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
656.965g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
657.529g/mol
Monoisotopic Mass:
656.965g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
272A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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