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16070-29-4 | Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-, compd. with 2-aminoethanol (1:1)
CAS No: 16070-29-4 Catalog No: AG001S4Z MDL No:
Product Description
Catalog Number:
AG001S4Z
Chemical Name:
Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-, compd. with 2-aminoethanol (1:1)
CAS Number:
16070-29-4
Molecular Formula:
C23H46N2O4
Molecular Weight:
414.6223
IUPAC Name:
2-aminoethanol;2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid
InChI:
InChI=1S/C21H39NO3.C2H7NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;3-1-2-4/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);4H,1-3H2/b11-10-;
InChI Key:
APORHXDNYYBWMK-GMFCBQQYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)N(CC(=O)O)C.OCCN
EC Number:
240-219-0
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
414.346g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
414.631g/mol
Monoisotopic Mass:
414.346g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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