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125648-17-1 | 1,4-Butanediamine, N1-hexadecyl-
CAS No: 125648-17-1 Catalog No: AG000O9C MDL No:
Product Description
Catalog Number:
AG000O9C
Chemical Name:
1,4-Butanediamine, N1-hexadecyl-
CAS Number:
125648-17-1
Molecular Formula:
C20H44N2
Molecular Weight:
312.5768
IUPAC Name:
N'-hexadecylbutane-1,4-diamine
InChI:
InChI=1S/C20H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21/h22H,2-21H2,1H3
InChI Key:
QHYOCLZQBOTQDO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCNCCCCN
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.35g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.586g/mol
Monoisotopic Mass:
312.35g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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