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70799-90-5 | 4,13-Hexadecanediamine, 3,14-diethyl-
CAS No: 70799-90-5 Catalog No: AG005FUJ MDL No:
Product Description
Catalog Number:
AG005FUJ
Chemical Name:
4,13-Hexadecanediamine, 3,14-diethyl-
CAS Number:
70799-90-5
Molecular Formula:
C20H44N2
Molecular Weight:
312.5768
IUPAC Name:
3,14-diethylhexadecane-4,13-diamine
InChI:
InChI=1S/C20H44N2/c1-5-17(6-2)19(21)15-13-11-9-10-12-14-16-20(22)18(7-3)8-4/h17-20H,5-16,21-22H2,1-4H3
InChI Key:
MZNQLXRKWSZAJE-UHFFFAOYSA-N
SMILES:
CCC(C(CCCCCCCCC(C(CC)CC)N)N)CC
Properties
Complexity:
198
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:
15
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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