CAS 140926-75-6 | 1,2-Ethanediamine, N1,N2-bis(7-chloro-4-quinolinyl)- | CAS Number 140926-75-6

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140926-75-6 | 1,2-Ethanediamine, N1,N2-bis(7-chloro-4-quinolinyl)-

CAS No: 140926-75-6 Catalog No: AG001FMW MDL No:

Product Description

Catalog Number:

AG001FMW

Chemical Name:

1,2-Ethanediamine, N1,N2-bis(7-chloro-4-quinolinyl)-

CAS Number:

140926-75-6

Molecular Formula:

C20H16Cl2N4

Molecular Weight:

383.2738

IUPAC Name:

N,N'-bis(7-chloroquinolin-4-yl)ethane-1,2-diamine

InChI:

InChI=1S/C20H16Cl2N4/c21-13-1-3-15-17(5-7-23-19(15)11-13)25-9-10-26-18-6-8-24-20-12-14(22)2-4-16(18)20/h1-8,11-12H,9-10H2,(H,23,25)(H,24,26)

InChI Key:

SSXYXSMMVMVYEV-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)nccc2NCCNc1ccnc2c1ccc(c2)Cl

NSC Number:

5844

Properties

Complexity:

412

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

382.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

383.276g/mol

Monoisotopic Mass:

382.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4

Literature

Title	Journal
Potent adjuvantic activity of a CCR1-agonistic bis-quinoline.	Bioorganic & medicinal chemistry letters 20120101
[Adrenergic and cholinergic control of oxytocin release evoked by vaginal, vagal and mammary stimulation in lactating rats (author's transl)].	Journal de physiologie 19751101