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25159-40-4 | 9-Octadecenamide, N-[3-(dimethyloxidoamino)propyl]-, (9Z)-
CAS No: 25159-40-4 Catalog No: AG002QOX MDL No:
Product Description
Catalog Number:
AG002QOX
Chemical Name:
9-Octadecenamide, N-[3-(dimethyloxidoamino)propyl]-, (9Z)-
CAS Number:
25159-40-4
Molecular Formula:
C21H40N2O2
Molecular Weight:
352.5545
IUPAC Name:
N,N-dimethyl-3-[[(Z)-octadec-9-enoyl]amino]propan-1-amine oxide
InChI:
InChI=1S/C23H46N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2,3)27/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)/b12-11-
InChI Key:
KNWLLDGCKIABQH-QXMHVHEDSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN=O
EC Number:
246-684-6
UNII:
H82GM29NMD
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
382.356g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.633g/mol
Monoisotopic Mass:
382.356g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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