CAS 4741-99-5|N,N'-Bis(2-aminoethyl)propane-1,3-diamine|1,4,8,11-tetraazaundecane|1,4,8,11-Tetraazaundecane|(2-aminoethyl)({3-[(2-aminoethyl)amino]propyl})amine|N,N′-二(2-氨乙基)-1,3-丙二胺|N,N′-B...

General Information

Structure

Molecular Formula

C₇H₂₀N₄

Molecular Mass

160.2605

Exact Mass

160.16879666

Charge

InChI

InChI=1S/C7H20N4/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-9H2

InChIKey

UWMHHZFHBCYGCV-UHFFFAOYSA-N

Canonic Smiles

NCCNCCCNCCN

Isomeric Smiles

N(CCN)CCCNCCN

Calculated Properties

JChem

LogD (pH = 7.4)

-6.54

LogD (pH = 5.5)

-9.77

Log P

-2.09

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

9.98

Polar Surface Area

76.10

Polarizability

19.91

Molar Refractivity

48.18

LOG S

1.07

Data Source

Names and Identifiers

IUPAC Traditional name

1,4,8,11-tetraazaundecane

IUPAC name

(2-aminoethyl)({3-[(2-aminoethyl)amino]propyl})amine

Synonyms

1,4,8,11-TetraazaundecaneN,N'-Bis(2-aminoethyl)propane-1,3-diamineN,N′-二(2-氨乙基)-1,3-丙二胺N,N′-Bis(2-aminoethyl)-1,3-propanediamine1,4,8,11-tetrazaundecaneN,N'-bis(2-aminoethyl)-1,3-propanediamineethylenetrimethyleneethylenetetramine2,3,2-tet2,3,2-tetramine3,7-diazanonane-1,9-diamine1,4,8,11-tetraazaundecane1,9-diamino-3,7-diazanonane2,3,2-tetramine

Names and Identifiers

Registration numbers

CAS Number

4741-99-5

MDL Number

MFCD00008174

Beilstein Number

1742732

PubChem SID

24848545162040058248601058146161

EC Number

225-254-1