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100242-25-9 | 1,4-Butanediamine, N1-(3-aminopropyl)-N4-[3-(methylamino)propyl]-
CAS No: 100242-25-9 Catalog No: AG0001CV MDL No:
Product Description
Catalog Number:
AG0001CV
Chemical Name:
1,4-Butanediamine, N1-(3-aminopropyl)-N4-[3-(methylamino)propyl]-
CAS Number:
100242-25-9
Molecular Formula:
C11H28N4
Molecular Weight:
216.3668
IUPAC Name:
N-(3-aminopropyl)-N'-[3-(methylamino)propyl]butane-1,4-diamine
InChI:
InChI=1S/C11H28N4/c1-13-7-5-11-15-9-3-2-8-14-10-4-6-12/h13-15H,2-12H2,1H3
InChI Key:
YZQIXDNUIPBJHG-UHFFFAOYSA-N
SMILES:
CNCCCNCCCCNCCCN
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:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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