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88228-77-7 | 1H-Imidazole, 2-heptadecyldihydro-, phosphate
CAS No: 88228-77-7 Catalog No: AG004B4K MDL No:
Product Description
Catalog Number:
AG004B4K
Chemical Name:
1H-Imidazole, 2-heptadecyldihydro-, phosphate
CAS Number:
88228-77-7
Molecular Formula:
C20H43N2O4P
Molecular Weight:
406.5402
IUPAC Name:
2-heptadecyl-2,3-dihydro-1H-imidazole;phosphoric acid
InChI:
InChI=1S/C20H40N2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-5(2,3)4/h18-22H,2-17H2,1H3;(H3,1,2,3,4)
InChI Key:
CGZDSGCLBUUORT-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CCCCCCCCCCCCCCCCCC1NC=CN1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.296g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
406.548g/mol
Monoisotopic Mass:
406.296g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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