(3aS,6aS)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole Dihydrochloride - CAS 1417789-50-4

Catalog:	BB059648
Product Name:	(3aS,6aS)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole Dihydrochloride
CAS:	1417789-50-4
Synonyms:	(3aS,6aS)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole Dihydrochloride; cis-1-Methylhexahydropyrrolo[3,4-b]pyrrole Dihydrochloride; (3aS,6aS)-1-Methyloctahydropyrrolo[3,4-b]pyrrole dihydrochloride; (3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole; dihydrochloride; cis-1-Methylhexahydropyrrolo[3,4-b]pyrrole 2HCl

Technical Data

IUPAC Name:	(3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrroledihydrochloride
Description:	(3aS,6aS)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole Dihydrochloride
Molecular Weight:	199.12
Molecular Formula:	C7H16Cl2N2
Canonical SMILES:	CN1CCC2C1CNC2.Cl.Cl
InChI:	InChI=1S/C7H14N2.2ClH/c1-9-3-2-6-4-8-5-7(6)9/h6-8H,2-5H2,1H32*1H/t6-,7+/m0../s1
InChI Key:	RUMPYDQZJSJKTJ-AUCRBCQYSA-N

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0690539
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	198.0690539
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0