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100021-82-7 | Hexadecanamide, N-(2-aminoethyl)-, phosphate (9CI)
CAS No: 100021-82-7 Catalog No: AG0000AZ MDL No:
Product Description
Catalog Number:
AG0000AZ
Chemical Name:
Hexadecanamide, N-(2-aminoethyl)-, phosphate (9CI)
CAS Number:
100021-82-7
Molecular Formula:
C18H41N2O5P
Molecular Weight:
396.5023
IUPAC Name:
N-(2-aminoethyl)hexadecanamide;phosphoric acid
InChI:
InChI=1S/C18H38N2O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)20-17-16-19;1-5(2,3)4/h2-17,19H2,1H3,(H,20,21);(H3,1,2,3,4)
InChI Key:
XORGSWPUTFUITJ-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CCCCCCCCCCCCCCCC(=O)NCCN
EC Number:
309-109-0
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.275g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
396.509g/mol
Monoisotopic Mass:
396.275g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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