CAS 13002-64-7 | 1,3-Propanediamine, N1,N1-bis(2-aminoethyl)- | CAS Number 13002-64-7

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13002-64-7 | 1,3-Propanediamine, N1,N1-bis(2-aminoethyl)-

CAS No: 13002-64-7 Catalog No: AG000TXB MDL No:

Product Description

Catalog Number:

AG000TXB

Chemical Name:

1,3-Propanediamine, N1,N1-bis(2-aminoethyl)-

CAS Number:

13002-64-7

Molecular Formula:

C7H20N4

Molecular Weight:

160.2605

IUPAC Name:

N',N'-bis(2-aminoethyl)propane-1,3-diamine

InChI:

InChI=1S/C7H20N4/c8-2-1-5-11(6-3-9)7-4-10/h1-10H2

InChI Key:

VHCPBLNDTKVHTI-UHFFFAOYSA-N

SMILES:

NCCCN(CCN)CCN

Properties

Complexity:

70.8

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

160.169g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

160.265g/mol

Monoisotopic Mass:

160.169g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.2

Literature

Title	Journal
Supplemental ascorbate or alpha-tocopherol induces cell death in Cu-deficient HL-60 cells.	Experimental biology and medicine (Maywood, N.J.) 20041001
Unsymmetrical tren-based ligands: synthesis and reactivity of rhenium complexes.	Inorganic chemistry 20020701
99mTc-N, N'-bis(aminoethyl)propanediamine hexaacetic acid (BPHA): a glomerular filtration agent similar to 99mTc-DTPA.	Nuclear medicine and biology 20020501