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

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Quinuclidines

[852913-16-7]
N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(8a,9S)-6-methoxy-9-cinchonanyl]thiourea
[69257-04-1]
N-Benzylcinchonidinium chloride
[207556-03-4]
2-Methylene-3-quinuclidinone hydrochloride hydrate
[461648-39-5]
Diphenyl(4-quinuclidinyl)methanol
[39896-06-5]
Quinuclidine hydrochloride
[82326-74-7]
3-Quinuclidinylxanthene-9-carboxylic acid hemioxalate salt

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