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86812-44-4 | 1,4-Butanediamine, N-(4-aminobutyl)-N'-(3-aminopropyl)-
CAS No: 86812-44-4 Catalog No: AG004J2P MDL No:
Product Description
Catalog Number:
AG004J2P
Chemical Name:
1,4-Butanediamine, N-(4-aminobutyl)-N'-(3-aminopropyl)-
CAS Number:
86812-44-4
Molecular Formula:
C11H28N4
Molecular Weight:
216.3668
IUPAC Name:
N'-[4-(3-aminopropylamino)butyl]butane-1,4-diamine
InChI:
InChI=1S/C11H28N4/c12-6-1-2-8-14-9-3-4-10-15-11-5-7-13/h14-15H,1-13H2
InChI Key:
BKISDFRMYYNEKU-UHFFFAOYSA-N
SMILES:
NCCCNCCCCNCCCCN
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.231g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
216.373g/mol
Monoisotopic Mass:
216.231g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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