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138915-91-0 | 1-Propanaminium, N,N,N-trimethyl-2,3-bis[(1-oxohexadecyl)oxy]-
CAS No: 138915-91-0 Catalog No: AG0019TW MDL No:
Product Description
Catalog Number:
AG0019TW
Chemical Name:
1-Propanaminium, N,N,N-trimethyl-2,3-bis[(1-oxohexadecyl)oxy]-
CAS Number:
138915-91-0
Molecular Formula:
C38H76NO4+
Molecular Weight:
611.0143
IUPAC Name:
2,3-di(hexadecanoyloxy)propyl-trimethylazanium
InChI:
InChI=1S/C38H76NO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(40)42-35-36(34-39(3,4)5)43-38(41)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/q+1
InChI Key:
PBIYEBPNYDHBDF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.577g/mol
Formal Charge:
1
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
611.029g/mol
Monoisotopic Mass:
610.577g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
14.8
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