CAS 102-60-3|N,N,N',N'-Tetrakis(2-hydroxyprop-1-yl)ethane-1,2-diamine|1-({2-[bis(2-hydroxypropyl)amino]ethyl}(2-hydroxypropyl)amino)propan-2-ol|Quadrol|edetol|N,N,N′,N′-四(2-羟丙基)乙二胺|Quadrol&...

General Information

Structure

Molecular Formula

C₁₄H₃₂N₂O₄

Molecular Mass

292.41488

Exact Mass

292.23620751

Charge

InChI

InChI=1S/C14H32N2O4/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20/h11-14,17-20H,5-10H2,1-4H3

InChIKey

NSOXQYCFHDMMGV-UHFFFAOYSA-N

Canonic Smiles

CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O

Isomeric Smiles

N(CCN(CC(C)O)CC(C)O)(CC(C)O)CC(C)O

Calculated Properties

JChem

Acid pKa

14.685251

H Acceptors

H Donor

LogD (pH = 5.5)

-4.58596

LogD (pH = 7.4)

-2.9794495

Log P

-0.88529396

Molar Refractivity

80.8516

Polarizability

32.060474

Polar Surface Area

87.4

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

N,N,N',N'-Tetrakis(2-hydroxyprop-1-yl)ethane-1,2-diamineQuadrolQuadrol®(乙烯二腈)四-2-丙醇N,N,N′,N′-四(2-羟丙基)乙二胺(Ethylenedinitrilo)tetra-2-propanolN,N,N′,N′-Tetrakis(2-Hydroxypropyl)ethylenediamine1,1',1'',1'''-(Ethane-1,2-diylbis(azanetriyl))tetrakis(propan-2-ol)N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamineEthylenediamine-N,N,N',N'-tetra-2-propanolN,N,N',N'-四-(2羟基丙基)乙二胺N,N,N',N'-TETRA(2-HYDROXYPROPYL)ETHYLENEDIAMINE

IUPAC name

1-({2-[bis(2-hydroxypropyl)amino]ethyl}(2-hydroxypropyl)amino)propan-2-ol

IUPAC Traditional name

edetol quadrol

Names and Identifiers

Registration numbers

CAS Number

102-60-3

MDL Number

MFCD00004534

EC Number

203-041-4