MYOSMINE - CAS 532-12-7

Catalog:	BB028083
Product Name:	MYOSMINE
CAS:	532-12-7
Synonyms:	3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine

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Computed Properties

IUPAC Name:	3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
Description:	A metabolite of Nicotine,which is a potent parasympathomimetic stimulant.
Molecular Weight:	146.19
Molecular Formula:	C9H10N2
Canonical SMILES:	C1CC(=NC1)C2=CN=CC=C2
InChI:	InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
InChI Key:	DPNGWXJMIILTBS-UHFFFAOYSA-N
Boiling Point:	82-83 °C / 0.5 mmHg
Melting Point:	38-40 °C
Flash Point:	82-83°C/0.5mm
Purity:	98 %
Density:	1.12 g/cm³
Solubility:	Soluble in water
Appearance:	Beige to light brown solid
Storage:	2-8°C
MDL:	MFCD00052019
LogP:	1.10010
Stability:	Moisture, Temperature Sensitive

Publication Number	Title	Priority Date
CN-112409329-A	Process for the preparation of S-nicotine	20201211
CN-112409327-A	Preparation method of high-optical-purity nicotine	20201118
CN-112125883-A	Synthesis method of racemic nicotine	20201022
CN-111707774-A	Method for detecting volatile compounds in tobacco	20200716
CN-111616405-A	Biogenic fragrances and fragrance products	20200702

PMID	Publication Date	Title	Journal
29968805	20180703	Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics	Scientific reports
23603380	20130801	Piperidine, pyridine alkaloid inhibition of fetal movement in a day 40 pregnant goat model	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22394091	20120306	Nicotine, cotinine, and myosmine determination using polymer films of tailor-designed zinc porphyrins as recognition units for piezoelectric microgravimetry chemosensors	Analytical chemistry
22450200	20120301	Effects of myosmine on antioxidative defence in rat liver	Arhiv za higijenu rada i toksikologiju
22129149	20120201	Biodegradation of nicotine by newly isolated Pseudomonas sp. CS3 and its metabolites	Journal of applied microbiology

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Related Functional Groups

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[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[4926-28-7]
2-Bromo-4-methylpyridine
[63585-69-3]
2-Methyl-3-nitropyridine Hydrochloride
[643762-61-2]
3-Bromo-2-(bromomethyl)-6-fluoropyridine

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.084398327
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6