3-Pyridyldimethylcarbamat

Norpyridostigmine

HCID 98821

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 51581-32-9
Standard-SMILES: CN(C)C(=O)Oc1cccnc1
InChIKey: VZELUFSMNDBCBO-UHFFFAOYSA-N
Summenformel: C8H10N2O2
Durchschnittliche Molmasse: 166,18 g/mol
Monoisotopische Masse: 166,07422756

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: Norpyridostigmine
IUPAC: pyridin-3-yl N,N-dimethylcarbamate
Lokaler Name: 3-Pyridyldimethylcarbamat
Englischer Name: 3-Pyridyl dimethylcarbamate
Summenformel: C8H10N2O2
Molmasse: 166.18

Namen und Synonyme

51581-32-9Norpyridostigmine49I1A7125LNSC-1683733-pyridinol dimethylcarbamateDTXSID10199535RO-1-5142RefChem:166682DTXCID70122026257-297-7pyridin-3-yl dimethylcarbamate3-Dimethylcarbamoyloxypyridine

Weitere Namen anzeigen

PDMC3-Pyridyl dimethylcaNeostigmine Impurity 17Pyridostigmine Impurity 1Bromoprasidamine Impurity APyridostigmine EP Impurity APyridostigmine impurity A CRS

pyridin-3-yl N,N-dimethylcarbamate3-(N,N-Dimethylcarbamoyloxy)pyridine3-Pyridyl dimethylcarbamateCarbamic acid, dimethyl-, 3-pyridinyl esterpyridin-3-yldimethylcarbamate3-(N,N-Dimethylcarbamoyloxy) pyridine3-(Dimethylcarbamoyloxy)pyridine3-pyridyl N,N-dimethylcarbamate

Datenbank-Bezeichner

CAS: 51581-32-9
PubChem CID: 98821
DTXSID: DTXSID10199535
ChEMBL: CHEMBL2288686
UNII: 49I1A7125L
EC Number: 257-297-7
Nikkaji: J294.851F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 42,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Siedepunkt: 149 °C · 149 °C(Press: 15 Torr)
Dichte: 1.153 · 1.153±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 3.83 · 3.83±0.10(Predicted)
Major Application: pharmaceutical (small molecule)
InChI: 1S/C8H10N2O2/c1-10(2)8(11)12-7-4-3-5-9-6-7/h3-6H,1-2H3
InChIKey: VZELUFSMNDBCBO-UHFFFAOYSA-N
SMILES: N(C)(C)C(=O)Oc1cnccc1
LogP: 0.39 at · 0.39 at 20℃
CAS Datenbank: 51581 · 51581-32-9(CAS DataBase Reference)
NIST chemische Informationen: 3 · Carbamic acid, dimethyl-, 3-pyridinyl ester(51581-32-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Danger

H300 (14.3%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 25-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21055

Hazard Classes and CategoriesAcute Tox. 2 (14.3%)

Sicherheitsdaten

wgk: WGK 1
ridadr: UN 2810 6.1 / PGIII
hs_code: 2933399090
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2