3-Amino-8-benzyl-8-azabicyclo[3.2.1]octane - CAS 96901-92-7

Catalog:	BB042016
Product Name:	3-Amino-8-benzyl-8-azabicyclo[3.2.1]octane
CAS:	96901-92-7
Synonyms:	8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-amine; 8-benzyl-8-azabicyclo[3.2.1]octan-3-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
Description:	3-Amino-8-benzyl-8-azabicyclo[3.2.1]octane (CAS# 96901-92-7 ) is a useful research chemical.
Molecular Weight:	216.32
Molecular Formula:	C14H20N2
Canonical SMILES:	C1CC2CC(CC1N2CC3=CC=CC=C3)N
InChI:	InChI=1S/C14H20N2/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2
InChI Key:	TZWXPIKAEAYGPF-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	2.77890

Publication Number	Title	Priority Date
US-10556899-B2	Method for preparing Maraviroc	20180209
US-2019248782-A1	Method for preparing maraviroc	20180209
WO-2014173375-A1	A process for the synthesis of maraviroc	20130426
US-2013157981-A1	Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof	20111220
US-8859559-B2	Substituted pyrazines and their use in the treatment of disease	20111220

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.162648646
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.162648646
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2