1,1'-(ethylenediimino)dipropan-2-ol

1. Names and Identifiers

1.2 Synonyms: 1,1'-(ethylenediimino)dipropan-2-ol; 1,1′-(1,2-Ethanediyldiimino)bis[2-propanol]; 2-Propanol, 1,1′-(1,2-ethanediyldiimino)bis-; 2-Propanol, 1,1′-(ethylenediimino)di-; 2-Propanol,1,1'-(ethylenediimino)di- (6CI,7CI,8CI); AC1L2TY1; LP004875; N,N′-Bis(2-hydroxypropyl)ethylenediamine; N,N′-Bis(β-hydroxypropyl)ethylenediamine; N,N′-Di(β-hydroxypropyl)ethylenediamine; n,n'-bis(2-hydroxypropyl)-1,2-ethanediamine; n,n'-bis(2-hydroxypropyl)ethylenediamine; N,N'-Bis(b-hydroxypropyl)ethylenediamine; N,N'-Di(b-hydroxypropyl)ethylenediamine; NXNQLKPBPWLUSX-UHFFFAOYSA-N;

1.7 Inchi: InChI=1S/C8H20N2O2/c1-7(11)5-9-3-4-10-6-8(2)12/h7-12H,3-6H2,1-2H3

2. Synthesis Route

3270-73-3Total: 10 Synthesis Route

36697-73-1

3270-73-3 1 Suppliers

61051-13-6

3270-73-3 1 Suppliers

3. Precursor and Product

precursor:

61051-09-0

123-84-2

10507-78-5

75-04-7

75-56-9

36697-73-1

61051-13-6

product:

10507-78-5

4. Computed Properties

Molecular Weight：176.26g/mol
Molecular Formula：C₈H₂₀N₂O₂
Compound Is Canonicalized：True
XLogP3-AA：176.152477885
Monoisotopic Mass：176.152477885
Complexity：89.1
Rotatable Bond Count：7
Hydrogen Bond Donor Count：4
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：64.5
Heavy Atom Count：：12
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：2
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACBThgAYCAALAAgAAAAAAAAAAAAAAAAAAAIAIAAACUAAAAAAUAAAAEACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==