Cyanmethyl(methyl)ammoniumchlorid

Acetonitrile, 2-(methylamino)-, hydrochloride (1:1)

HCID 117641

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Grundinformationen

CAS: 25808-30-4
Standard-SMILES: CNCC#N.Cl
InChIKey: DFKBQHBEROHUNF-UHFFFAOYSA-N
Summenformel: C3H7ClN2
Durchschnittliche Molmasse: 106,55 g/mol
Monoisotopische Masse: 106,0297759

Namen und Bezeichner

Bevorzugter Name: Acetonitrile, 2-(methylamino)-, hydrochloride (1:1)
IUPAC: 2-(methylamino)acetonitrile;hydrochloride
Lokaler Name: Cyanmethyl(methyl)ammoniumchlorid
Englischer Name: Methylaminoacetonitrile hydrochloride
Summenformel: C3H7ClN2
Molmasse: 106.55

Namen und Synonyme

Methylaminoacetonitrile hydrochlorideAcetonitrile, 2-(methylamino)-, hydrochloride (1:1)Cyanomethyl(methyl)ammonium chlorideR6AU3C4NY5N-Methylaminoacetonitrile hydrochlorideDTXSID3067152(METHYLAMINO)ACETONITRILE MONOHYDROCHLORIDERefChem:199347DTXCID703739725808-30-42-(methylamino)acetonitrile hydrochlorideAcetonitrile, (methylamino)-, monohydrochloride

Weitere Namen anzeigen

SARCOSINITRILEJACS-25808-30-4MethylaminoacetonitrMETHYLAMINOACETONITRILE HCLSARCOSINITRILE HYDROCHLORIDEN-METHYL AMINOACETONITRILE HCLSARCOSINE NITRILE HYDROCHLORIDE(methylamino)acetonitrilhydrochlorid

MFCD00012587C3H7ClN2Methylaminoacetonitrile, hydrochloride2-(methylamino)acetonitrile;hydrochlorideSCHEMBL846682CS-W002073GS-3232BP-12476

Datenbank-Bezeichner

CAS: 25808-30-4
PubChem CID: 117641
DTXSID: DTXSID3067152
UNII: R6AU3C4NY5
EC Number: 247-277-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 35,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 49,2

Physikochemische Eigenschaften

Schmelzpunkt: 103 · 103-106 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
BRN: 3908975 · 3908975
InChI: 1S/C3H6N2.ClH/c1-5-3-2-4;/h5H,3H2,1H3;1H
InChIKey: DFKBQHBEROHUNF-UHFFFAOYSA-N
SMILES: Cl.CNCC#N
CAS Datenbank: 25808 · 25808-30-4(CAS DataBase Reference)
EPA chemische Informationen: Acetonitrile, (methylamino)-, monohydrochloride (25808-30-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29269090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen · 1 Eintrag

VerwendenMethylaminoacetonitrile hydrochloride can be used as an intermediate in pharmaceutical and chemical synthesis. It is the raw material for the preparation of tadalafil. Approved by the FDA in 2003, tadalafil was marketed in the United States as a drug for the treatment of erectile dysfunction in men.