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13287-26-8 | 1,3-Propanediamine, N1-(3-aminopropyl)-N3-[3-(octadecylamino)propyl]-
CAS No: 13287-26-8 Catalog No: AG0011AS MDL No:
Product Description
Catalog Number:
AG0011AS
Chemical Name:
1,3-Propanediamine, N1-(3-aminopropyl)-N3-[3-(octadecylamino)propyl]-
CAS Number:
13287-26-8
Molecular Formula:
C27H60N4
Molecular Weight:
440.7921
IUPAC Name:
N'-[3-[3-(octadecylamino)propylamino]propyl]propane-1,3-diamine
InChI:
InChI=1S/C27H60N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-24-19-26-31-27-20-25-30-23-18-21-28/h29-31H,2-28H2,1H3
InChI Key:
HIIIBFPOMFOHPL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNCCCNCCCNCCCN
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.482g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
440.805g/mol
Monoisotopic Mass:
440.482g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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