CAS 211319-41-4 | 1,3-Propanediamine, N1-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]- | CAS Number 211319-41-4

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211319-41-4 | 1,3-Propanediamine, N1-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]-

CAS No: 211319-41-4 Catalog No: AG002LA6 MDL No:

Product Description

Catalog Number:

AG002LA6

Chemical Name:

1,3-Propanediamine, N1-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]-

CAS Number:

211319-41-4

Molecular Formula:

C9H25N5

Molecular Weight:

203.3283

IUPAC Name:

N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]propane-1,3-diamine

InChI:

InChI=1S/C9H25N5/c10-2-1-4-12-6-8-14-9-7-13-5-3-11/h12-14H,1-11H2

InChI Key:

VVBGSMCXGWBESC-UHFFFAOYSA-N

SMILES:

NCCNCCNCCNCCCN

Properties

Complexity:

99.2

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.211g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.334g/mol

Monoisotopic Mass:

203.211g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.6

Literature

Title	Journal
Synthesis and biological characterization of novel charge-deficient spermine analogues.	Journal of medicinal chemistry 20100812
Novel isosteric charge-deficient spermine analogue--1,12-diamino-3,6,9-triazadodecane: synthesis, pK(a) measurement and biological activity.	Amino acids 20100201
[A charge-deficient analogue of spermine with chelating properties].	Bioorganicheskaia khimiia 20050101