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205056-57-1 | 1-Propanaminium, 2,3-bis(hexadecyloxy)-N,N,N-trimethyl-
CAS No: 205056-57-1 Catalog No: AG0029U6 MDL No:
Product Description
Catalog Number:
AG0029U6
Chemical Name:
1-Propanaminium, 2,3-bis(hexadecyloxy)-N,N,N-trimethyl-
CAS Number:
205056-57-1
Molecular Formula:
C38H80NO2+
Molecular Weight:
583.0473
IUPAC Name:
2,3-dihexadecoxypropyl(trimethyl)azanium
InChI:
InChI=1S/C38H80NO2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-37-38(36-39(3,4)5)41-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/q+1
InChI Key:
BPWMPFTZQZNNAH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCCCCCCCCCC
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
582.619g/mol
Formal Charge:
1
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
583.063g/mol
Monoisotopic Mass:
582.619g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
15.6
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