4-(4-Chlorobutyl)pyridine Hydrochloride - CAS 149463-65-0

Catalog:	BB010408
Product Name:	4-(4-Chlorobutyl)pyridine Hydrochloride
CAS:	149463-65-0
Synonyms:	4-(4-chlorobutyl)pyridine;hydrochloride; 4-(4-chlorobutyl)pyridine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	4-(4-chlorobutyl)pyridine;hydrochloride
Description:	One of the impurities of Tirofiban, which has been found to be a glycoprotein IIb/IIIa inhibitor and could be used as an antiplatelet agent.
Molecular Weight:	206.11
Molecular Formula:	C9H13Cl2N
Canonical SMILES:	C1=CN=CC=C1CCCCCl.Cl
InChI:	InChI=1S/C9H12ClN.ClH/c10-6-2-1-3-9-4-7-11-8-5-9;/h4-5,7-8H,1-3,6H2;1H
InChI Key:	CIPSBYICMDRGKQ-UHFFFAOYSA-N
Boiling Point:	311.1 ℃ at 760 mmHg
Appearance:	Solid
LogP:	3.44510

Publication Number	Title	Priority Date
CN-111100066-A	Tirofiban hydrochloride intermediate and preparation method of Tirofiban hydrochloride	20191129
CN-111100066-B	Tirofiban hydrochloride intermediate and preparation method of Tirofiban hydrochloride	20191129
AU-2008319735-A1	Pyridazinone derivatives and use thereof as P2X7 receptor inhibitors	20071031
CA-2699631-A1	Pyridazinone compounds and p2x7 receptor inhibitors	20071031
CN-101842359-A	Pyridazinone derivatives and use thereof as p2x7 receptor inhibitors	20071031

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Related Functional Groups

Pyridines

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[1261365-99-4]
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[856848-33-4]
2-Amino-4,5-dibromopyridine
[4926-28-7]
2-Bromo-4-methylpyridine
[2122800-15-9]
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine

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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:	89.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.0425048
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.0425048
Rotatable Bond Count:	4
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0