Aminoacetonitrilhydrochlorid

Aminoacetonitrile hydrochloride

HCID 11491918

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 6011-14-9
Standard-SMILES: Cl.N#CCN
InChIKey: XFKYKTBPRBZDFG-UHFFFAOYSA-N
Summenformel: C2H4N2.ClH
Durchschnittliche Molmasse: 92,53 g/mol
Monoisotopische Masse: 92,01412584

Namen und Bezeichner

Bevorzugter Name: Aminoacetonitrile hydrochloride
IUPAC: 2-aminoacetonitrile;hydrochloride
Lokaler Name: Aminoacetonitrilhydrochlorid
Englischer Name: Aminoacetonitrile hydrochloride
Summenformel: C2H5ClN2
Molmasse: 92.53

Namen und Synonyme

Aminoacetonitrile hydrochloride6011-14-92-aminoacetonitrile HydrochlorideAminoacetonitrile HClGlycinonitrile hydrochlorideAcetonitrile, amino-, monohydrochlorideAminoacetonitrile monohydrochlorideGLYCINONITRILE, MONOHYDROCHLORIDES8L3V1KSB7Acetonitrile, 2-amino-, hydrochloride (1:1)DTXSID10884212AMINOACETONITRILE HYDROCHLORIDE [MI]

Weitere Namen anzeigen

e hydrochLGlycinonitrileHClAminoacetonitrile hy2-Amino-acetonitrile HClAminonitrilehydrochlorideAcetonitrile hydrochlorideCyanomethylazanium chloridecyanomethanaminium chloride

EINECS 227-865-9.ALPHA.-AMINOACETONITRILE HYDROCHLORIDERefChem:557530DTXCID401023667ALPHA-AMINOACETONITRILE HYDROCHLORIDE227-865-92-aminoacetonitrile;hydrochlorideAMINO ACETONITRILE HCl

Datenbank-Bezeichner

CAS: 6011-14-9
PubChem CID: 11491918
DTXSID: DTXSID10884212
ChEMBL: CHEMBL545492
UNII: S8L3V1KSB7
EC Number: 227-865-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 39,2

Physikochemische Eigenschaften

Schmelzpunkt: 172 · 172-174°C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Methanol (Slightly, Heated), Water
Aggregatzustand: Powder
Farbe: White to Off-White
Wasserlöslichkeit: 20 °C, · Soluble in water 20°C, 1000g/L.
Merck: 14 · 14,412
InChI: InChI=1S/C2H4N2.ClH/c3-1-2-4;/h1,3H2;1H
InChIKey: XFKYKTBPRBZDFG-UHFFFAOYSA-N
SMILES: C(N)C#N.Cl
CAS Datenbank: 6011 · 6011-14-9(CAS DataBase Reference)
EPA chemische Informationen: Aminoacetonitrile hydrochloride (6011-14-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (12.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 57 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Acetonitrile, amino-, monohydrochloride

Status: Active Update: 21-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20345

Acetonitrile, amino-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (12.3%)

Sicherheitsdaten

tsca: TSCA listed
ridadr: 3439
hs_code: 29269090
risk_code: 20/21/22-36/37/38-25
safety_code: 22-36/37-45-26
hazard_class: 6.1
packing_group: III

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetonitrile, 2-amino-, hydrochloride (1:1): ACTIVE

Anwendungen

VerwendenUsed as pharmaceutical intermediates, organic synthetic raw material transportation.

Darstellung · 1 Eintrag

synthetischeSynthesis of Aminoacetonitrile Hydrochloride by Reaction of Aminoacetonitrile with Hydrogen Chloride in Methanol: mixing the aminoacetonitrile with hydrogen chloride methanol solution, reacting at 45-50°C for 1-2 hours, cooling to below 5°C, filtering, and centrifugalizing to obtain the aminoacetonitrile hydrochloride, wherein in the hydrogen chloride methanol solution, the content of hydrogen chloride is 30-50 wt%, and the water content is less than or equal to 1%.Preparation method of aminoacetonitrile hydrochloride