CAS 672-28-6 | 2,5-Diazabicyclo[2.2.1]heptane | CAS Number 672-28-6

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672-28-6 | 2,5-Diazabicyclo[2.2.1]heptane

CAS No: 672-28-6 Catalog No: AG005Q35 MDL No:MFCD08693700

Product Description

Catalog Number:

AG005Q35

Chemical Name:

2,5-Diazabicyclo[2.2.1]heptane

CAS Number:

672-28-6

Molecular Formula:

C5H10N2

Molecular Weight:

98.1463

MDL Number:

MFCD08693700

IUPAC Name:

2,5-diazabicyclo[2.2.1]heptane

InChI:

InChI=1S/C5H10N2/c1-4-2-6-5(1)3-7-4/h4-7H,1-3H2

InChI Key:

UKHJNJFJCGBKSF-UHFFFAOYSA-N

SMILES:

N1CC2CC1CN2

Properties

Complexity:

72.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

98.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

98.149g/mol

Monoisotopic Mass:

98.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

24.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6

Literature

Title	Journal
(1S,4S)-2-(2,4-Difluoro-phen-yl)-5-[(4-methyl-phen-yl)sulfon-yl]-2,5-diaza-bicyclo-[2.2.1]hepta-ne.	Acta crystallographica. Section E, Structure reports online 20110201
6-Chloropyridazin-3-yl derivatives active as nicotinic agents: synthesis, binding, and modeling studies.	Journal of medicinal chemistry 20020829