N1,N1,N2,N2-Tetrakis(2-aminoethyl)-1,2-ethanediamine - CAS 4097-90-9

Catalog:	BB058333
Product Name:	N1,N1,N2,N2-Tetrakis(2-aminoethyl)-1,2-ethanediamine
CAS:	4097-90-9
Synonyms:	N,N,N',N'-Tetrakis(2-aminoethyl)-1,2-ethanediamine; N,N,N',N'-Tetrakis(2-aminoethyl)ethylenediamine; 4,7-bis(2-Aminoethyl)triethylenetetramine

Technical Data

IUPAC Name:	N'-(2-aminoethyl)-N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine
Description:	N1,N1,N2,N2-Tetrakis(2-aminoethyl)-1,2-ethanediamine is used in the preparation of strong circularly polarized luminescence of rare earth complexes
Molecular Weight:	232.37
Molecular Formula:	C10H28N6
Canonical SMILES:	C(CN(CCN)CCN(CCN)CCN)N
InChI:	InChI=1S/C10H28N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h1-14H2
InChI Key:	BPFBNAXGHSFGDC-UHFFFAOYSA-N
References:	Petoud, S. et al. J. Am. Chem. Soc., 129, 77 (2007); Xu, J., et al. J. Am. Chem. Soc., 133, 19900 (2011).

Complexity:	115
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.23754492
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	232.23754492
Rotatable Bond Count:	11
Topological Polar Surface Area:	111Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-3.5