(1R,6R)-2,8-Diazabicyclo[4.3.0]nonane (Technical Grade) - CAS 151213-42-2

Catalog:	BB068219
Product Name:	(1R,6R)-2,8-Diazabicyclo[4.3.0]nonane (Technical Grade)
CAS:	151213-42-2
Synonyms:	(4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine

Technical Data

IUPAC Name:	(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
Description:	(1R,6R)-2,8-Diazabicyclo[4.3.0]nonane is a chiral reagent used in the synthesis of pyrrolopyrimidine derivatives as dual DNA gyrase B and topoisomerase IV inhibitors and potential antibacterial agents.
Molecular Weight:	126.2
Molecular Formula:	C7H14N2
Canonical SMILES:	C1CC2CNCC2NC1
InChI:	InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m1/s1
InChI Key:	KSCPLKVBWDOSAI-RQJHMYQMSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly), Water
Appearance:	Colourless to Yellow Oil
Storage:	4°C
References:	Bioorg. Med. Chem. Lett., 23, 1529 (2013).

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	126.115698455
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	126.115698455
Rotatable Bond Count:	0
Topological Polar Surface Area:	24.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0