1-(3-Chloropropyl)piperidine monohydrochloride - CAS 5472-49-1

Catalog:	BB028804
Product Name:	1-(3-Chloropropyl)piperidine monohydrochloride
CAS:	5472-49-1
Synonyms:	1-(3-chloropropyl)piperidine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(3-chloropropyl)piperidine;hydrochloride
Description:	1-(3-Chloropropyl)piperidine monohydrochloride (CAS# 5472-49-1) is used in preparation of Triazolotriazine derivatives as A2A receptor antagonists.
Molecular Weight:	198.13
Molecular Formula:	C8H16ClN · HCl
Canonical SMILES:	C1CCN(CC1)CCCCl.Cl
InChI:	InChI=1S/C8H16ClN.ClH/c9-5-4-8-10-6-2-1-3-7-10;/h1-8H2;1H
InChI Key:	OBOBUDMMFXRNDO-UHFFFAOYSA-N
Boiling Point:	217.3 °C at 760 mmHg
Melting Point:	219-223 °C
Purity:	97 %
Appearance:	White solid
MDL:	MFCD00012838
LogP:	2.84110

Publication Number	Title	Priority Date
CN-110627744-A	Preparation method of difenidol hydrochloride intermediate	20190910
WO-2020011848-A1	Polyamino biaryl compounds and their use	20180711
EP-3820862-A1	Polyamino biaryl compounds and their use	20180711
US-2021230131-A1	Polyamino biaryl compounds and their use	20180711
CN-111051309-A	Triazolotriazine derivatives useful as A2A receptor antagonists	20180626

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Related Functional Groups

Piperidines

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[1006349-05-8]
Ethyl 1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate
[1172352-99-6]
Ethyl 1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylate
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Ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate 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:	79.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.0738049
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.0738049
Rotatable Bond Count:	3
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0