(2S)-Pyrrolidine-2-carbonitrile hydrochloride

HCID 44593801

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Grundinformationen

CAS: 65732-69-6
Standard-SMILES: Cl.N#C[C@@H]1CCCN1
InChIKey: QSJTUXCBPTVKQZ-JEDNCBNOSA-N
Summenformel: C5H9ClN2
Durchschnittliche Molmasse: 132,59 g/mol
Monoisotopische Masse: 132,045426

Namen und Bezeichner

Bevorzugter Name: (2S)-Pyrrolidine-2-carbonitrile hydrochloride
IUPAC: (2S)-pyrrolidine-2-carbonitrile;hydrochloride
Englischer Name: (S)-Pyrrolidine-2-carbonitrile hydrochloride
Summenformel: C5H8N2.ClH
Molmasse: 132.59

Namen und Synonyme

(2S)-pyrrolidine-2-carbonitrile hydrochlorideRefChem:398728672-346-665732-69-6(S)-Pyrrolidine-2-carbonitrile hydrochloride(S)-2-Pyrrolidinecarbonitrile Hydrochloride(S)-2-cyanopyrrolidine hydrochlorideMFCD02683060(s)-2-cyanopyrrolidine hcl(s)-2-cyano-pyrrolidine hydrochloride(2S)-pyrrolidine-2-carbonitrile;hydrochloride(s)-2-pyrrolidinecarbonitrilehydrochloride

Weitere Namen anzeigen

(S)-2-PyrroLidinecarbonitriLVildagliptin Imp.Nvildagliptin Impurity N(S)-2-PYRROLIDINONITRILEHCL2-Cyanopyrrolidine hydrochlorideS-Pyrrolidine-2-carbonitrile HCl(S)-2-Pyrrolidinecarbonitrile HCl(2S)-pyrrolidine-2-carbonitrile, HCl

(S)-PYRROLIDINE-2-CARBONITRILE HCL2-Pyrrolidinecarbonitrile, monohydrochloride, (2S)-Vildagliptin Impurity 27(2s)-2-pyrrolidinecarbonitrile hydrochlorideSCHEMBL1188615DTXSID30659606SBB066756AKOS015849400

Datenbank-Bezeichner

CAS: 65732-69-6
PubChem CID: 44593801
DTXSID: DTXSID30659606
EC Number: 672-346-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 35,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 99

Physikochemische Eigenschaften

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
Farbe: White
InChI: InChI=1/C5H8N2.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-3H2;1H/t5-;/s3
InChIKey: QSJTUXCBPTVKQZ-USHJBNIQNA-N
SMILES: C([C@H]1NCCC1)#N.Cl |&1:1,r|
CAS Datenbank: 65732 · 65732-69-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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, 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 3 reports by companies from 3 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (100%)；STOT SE 3 (66.7%)

Sicherheitsdaten

ridadr: 3439
hs_code: 2933998090
risk_code: 20/21/22
safety_code: 22-36/37/39

Chemie und Industrie

Anwendungen

Verwenden(2S)-2-Pyrrolidinecarbonitrile is a reagent that promotes the prebiotic synthesis of 2-deoxy-D-ribose, which forms the backbone of the DNA. A pharmaceutical intermediate.