3-Chloro-N-(3-quinuclidinyl)benzamide - CAS 120570-07-2

Catalog:	BB004912
Product Name:	3-Chloro-N-(3-quinuclidinyl)benzamide
CAS:	120570-07-2
Synonyms:	N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide
Description:	3-Chloro-N-(3-quinuclidinyl)benzamide (CAS# 120570-07-2 ) is a useful research chemical.
Molecular Weight:	264.75
Molecular Formula:	C14H17ClN2O
Canonical SMILES:	C1CN2CCC1C(C2)NC(=O)C3=CC(=CC=C3)Cl
InChI:	InChI=1S/C14H17ClN2O/c15-12-3-1-2-11(8-12)14(18)16-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,13H,4-7,9H2,(H,16,18)
InChI Key:	NFCKUDVYRHEVOM-UHFFFAOYSA-N
Boiling Point:	420.1 °C at 760 mmHg
Melting Point:	165-166 °C(lit.)
Purity:	95 %
Density:	1.27 g/cm³
MDL:	MFCD00191929
LogP:	2.49280

Publication Number	Title	Priority Date
US-2021188890-A1	Selective valorization of biomass sugars	20191219
WO-2021127642-A1	Selective valorization of biomass sugars	20191219
CA-2090037-A1	Indole derivatives and drugs	19900831
EP-0546181-A1	Indole derivatives and their use as serotonin antagonists	19900831
EP-0546181-B1	Indole derivatives and their use as serotonin antagonists	19900831

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Related Functional Groups

Quinuclidines

[69257-04-1]
N-Benzylcinchonidinium chloride
[120570-07-2]
3-Chloro-N-(3-quinuclidinyl)benzamide
[461648-39-5]
Diphenyl(4-quinuclidinyl)methanol
[138874-55-2]
(R)-Quinuclidine-3-methanol
[36860-48-7]
2-Amino-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
[33601-77-3]
3-Chloroquinuclidine hydrochloride

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:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	264.1029409
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	264.1029409
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4