3-(1-Pyrrolin-2-yl)pyridin

Myosmine

HCID 442649CAS 532-12-7
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Grundinformationen

Standard-SMILES
c1cncc(C2=NCCC2)c1
InChIKey
DPNGWXJMIILTBS-UHFFFAOYSA-N
Summenformel
C9H10N2
Durchschnittliche Molmasse
146,19 g/mol
Monoisotopische Masse
146,08439833

Namen und Bezeichner

Bevorzugter Name
Myosmine
IUPAC
3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
Lokaler Name
3-(1-Pyrrolin-2-yl)pyridin
Englischer Name
MYOSMINE
Summenformel
C9H10N2
Molmasse
146.19

Namen und Synonyme

Myosmine532-12-73-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine3-(1-Pyrrolin-2-yl)pyridine2-(3-Pyridyl)-1-pyrrolinePyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)-CHEBI:7051DTXSID708918669O0A545W4LRefChem:160358DTXCID001009059637-297-7
Weitere Namen anzeigen
NICOTINE RELATED COMPOUND DMYOSIMEyosmineMYSOMINEMyosmingBrn 0119254MYOSMINE(RG)
MFCD00052019MiosmineNicotine EP Impurity D3-(1-PYRROLIN-2-YL)-PYRIDINE3-(4,5-Dihydro-3H-pyrrol-2-yl)-pyridineCHEMBL4234293-(2-Pyrrolin-2-yl)pyridinePyridine, 3-(1-pyrrolin-2-yl)-

Datenbank-Bezeichner

CAS
532-12-7
PubChem CID
442649
DTXSID
DTXSID70891866
ChEMBL
CHEMBL423429
ChEBI
CHEBI:7051
UNII
9O0A545W4L
EC Number
637-297-7
Nikkaji
J11.722F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
25,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Melting Point40.5 - 42 °C
Physical DescriptionSolid
Kovats Retention Index1427.3
Collision Cross Section · 2 Einträge

128.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

130.49 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；127.92 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt
42 · 42-44°C
Siedepunkt
82 · 82-83°C 0,5mm
Dichte
1.12 · 1.12±0.1 g/cm3(Predicted)
Flammpunkt
82 · 82-83°C/0.5mm
storage temp.
2 · 2-8°C
Löslichkeit
Methanol (Slightly), Water (Sparingly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 24-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34234
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (87.8%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 24-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34234

Sicherheitsdaten

wgk
3
hs_code
29399990
RTECS-Nr.
UT7660000
risk_code
22-36/37/38
hazard_code
Xn
safety_code
26-36

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular
Anwendungen · 2 Einträge

BeschreibungThe alkaloids found in tobacco smoke may be separated into those which are volatile in steam and those which are non-volatile. Myosmine occurs in the former group and, although only present in small quantities, is the most fully investigated of these bases. The alkaloid is normally obtained as an oily liquid which may be crystallized. It is optically inactive and readily soluble in light petroleum or Et20. It forms a hydrochloride as a microcrystalline powder which, on sublimation yields colourless rods, m.p. ISS-8°C. The dihydrochloride, also a microcrystalline powder, yields colourless needles on sublimation, m.p. 1S0- 17 Soc. The base also furnishes a dipicrate, m.p. 182-3°C (dec.) and a dipi_x0002_crolonate, m.p. 204°C (dec.). On dehydrogenation it gives 2-(3'-pyridyl)-pyrrole (picrate, m.p. 200°C) identical with that obtained in a similar manner from nornicotine. According to Woodward and his colleagues, the alkaloid is one of several products formed when nicotine is dehydrogenated over prepared quartz at S70°C. It is readily hydrolyzed in H20 to yield 3-pyridyl-r-aminopropyl ketone, forming a crystalline phenylhydrazone, m.p. 20l-2°C.

VerwendenMyosmine is an alkaloid found in tobacco. Myosmine has been suspected to be a tobacco-independent carcinogenic source.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海策嵘生物科技有限公司[email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]

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