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100021-81-6 | Octadecanamide, N-(2-aminoethyl)-, phosphate (9CI)
CAS No: 100021-81-6 Catalog No: AG0000B0 MDL No:
Product Description
Catalog Number:
AG0000B0
Chemical Name:
Octadecanamide, N-(2-aminoethyl)-, phosphate (9CI)
CAS Number:
100021-81-6
Molecular Formula:
C20H45N2O5P
Molecular Weight:
424.5555
IUPAC Name:
N-(2-aminoethyl)octadecanamide;phosphoric acid
InChI:
InChI=1S/C20H42N2O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21;1-5(2,3)4/h2-19,21H2,1H3,(H,22,23);(H3,1,2,3,4)
InChI Key:
PPBFBAUMQRQBIT-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CCCCCCCCCCCCCCCCCC(=O)NCCN
EC Number:
309-108-5
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.307g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
424.563g/mol
Monoisotopic Mass:
424.307g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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