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28872-01-7 | 1,3-Propanediamine, N1-(3-aminopropyl)-N3-(9Z)-9-octadecen-1-yl-
CAS No: 28872-01-7 Catalog No: AG002WWX MDL No:
Product Description
Catalog Number:
AG002WWX
Chemical Name:
1,3-Propanediamine, N1-(3-aminopropyl)-N3-(9Z)-9-octadecen-1-yl-
CAS Number:
28872-01-7
Molecular Formula:
C24H51N3
Molecular Weight:
381.6818
IUPAC Name:
N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine
InChI:
InChI=1S/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-19-24-27-22-18-20-25/h9-10,26-27H,2-8,11-25H2,1H3/b10-9-
InChI Key:
ZXUXEWRICDHNKF-KTKRTIGZSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCCNCCCNCCCN
EC Number:
249-276-6
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
381.408g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
381.693g/mol
Monoisotopic Mass:
381.408g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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