Nicotinamidine hydrochloride

HCID 202042CAS 63265-42-9

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Grundinformationen

Standard-SMILES: Cl.N=C(N)c1cccnc1
InChIKey: MKJPBOVLAZADQJ-UHFFFAOYSA-N
Summenformel: C6H8ClN3
Durchschnittliche Molmasse: 157,6 g/mol
Monoisotopische Masse: 157,04067494

Namen und Bezeichner

Bevorzugter Name: Nicotinamidine hydrochloride
IUPAC: pyridine-3-carboximidamide;hydrochloride
Englischer Name: nicotinamidine hydrochloride
Summenformel: C6H8ClN3
Molmasse: 157.6

Namen und Synonyme

Nicotinamidine hydrochloride63265-42-9Pyridine-3-carboximidamide MonohydrochlorideRefChem:854109615-990-5692-380-57356-60-7Nicotinimidamide hydrochloride3-Amidinopyridine hydrochloridepyridine-3-carboximidamide hydrochloride3-AMIDINOPYRIDINIUM CHLORIDENicotinamidine, hydrochloride

Weitere Namen anzeigen

nicotinamidine,hydrochlorideNicotinimidamide dihydrochloride

3-Pyridinecarboximidamide, monohydrochlorideMFCD000543263-Pyridinecarboxamidine hydrochloridepyridine-3-carboximidamide;hydrochlorideNicotinimidamide xhydrochlorideNSC-64953pyridine-3-carboxamidine hydrochloride477903-33-6

Datenbank-Bezeichner

CAS: 63265-42-9、7356-60-7
PubChem CID: 202042
DTXSID: DTXSID901380347
UNII: A3EZ6T4MZE
EC Number: 615-990-5、692-380-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 62,8 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 111

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]