Benzyl 2-azabicyclo[3.3.0]octane-3-carboxylate hydrochloride - CAS 93779-29-4

Catalog:	BB041082
Product Name:	Benzyl 2-azabicyclo[3.3.0]octane-3-carboxylate hydrochloride
CAS:	93779-29-4
Synonyms:	benzyl (2S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride

Technical Data

IUPAC Name:	benzyl (2S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
Description:	Benzyl 2-azabicyclo[3.3.0]octane-3-carboxylate hydrochloride (CAS# 93779-29-4) is an intermeidate in the synthesis of Ramipril (R111000(P)), which is an antihypertensive. Ramipril is an angiotensin converting enzyme (ACE) inhibitor, converts to the active diacid metabolite.
Molecular Weight:	281.78
Molecular Formula:	C15H19NO2 ·HCl
Canonical SMILES:	C1CC2CC(NC2C1)C(=O)OCC3=CC=CC=C3.Cl
InChI:	InChI=1S/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12?,13-,14-;/m0./s1
InChI Key:	HLXCXOQXUDRJLF-JJARTYCRSA-N
Boiling Point:	390.5 °C at 760 mmHg
Melting Point:	175-182 °C
Purity:	95 %
Appearance:	White to light yellow crystal powde
Storage:	Sealed in dry, Room Temperature
LogP:	3.39120

Complexity:	299
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	281.1182566
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	281.1182566
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0