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137992-58-6 | 1-Octadecanaminium, N,N,N-tris(3-amino-3-oxopropyl)-, chloride (1:1)
CAS No: 137992-58-6 Catalog No: AG0017SL MDL No:
Product Description
Catalog Number:
AG0017SL
Chemical Name:
1-Octadecanaminium, N,N,N-tris(3-amino-3-oxopropyl)-, chloride (1:1)
CAS Number:
137992-58-6
Molecular Formula:
C27H55ClN4O3
Molecular Weight:
519.2036
IUPAC Name:
tris(3-amino-3-oxopropyl)-octadecylazanium;chloride
InChI:
InChI=1S/C27H54N4O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31(22-18-25(28)32,23-19-26(29)33)24-20-27(30)34;/h2-24H2,1H3,(H5-,28,29,30,32,33,34);1H
InChI Key:
ZGUGNOJGHNEEDB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC[N+](CCC(=O)N)(CCC(=O)N)CCC(=O)N.[Cl-]
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.396g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
519.212g/mol
Monoisotopic Mass:
518.396g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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