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100021-80-5 | 9-Octadecenamide, N-(2-aminoethyl)-, (Z)-, phosphate (9CI)
CAS No: 100021-80-5 Catalog No: AG0000B1 MDL No:
Product Description
Catalog Number:
AG0000B1
Chemical Name:
9-Octadecenamide, N-(2-aminoethyl)-, (Z)-, phosphate (9CI)
CAS Number:
100021-80-5
Molecular Formula:
C20H43N2O5P
Molecular Weight:
422.5396
IUPAC Name:
20-aminoicos-9-enoylazanium;dihydrogen phosphate
InChI:
InChI=1S/C20H40N2O.H3O4P/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23;1-5(2,3)4/h2,4H,1,3,5-19,21H2,(H2,22,23);(H3,1,2,3,4)
InChI Key:
ADBLQHNYHMGIKU-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CCCCCCCC/C=C\CCCCCCCC(=O)NCCN
EC Number:
309-106-4
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.291g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
422.547g/mol
Monoisotopic Mass:
422.291g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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