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HCID 94355Erstellt: 26. Oktober 2026

2-Amino-2,3-dimethylbutyronitrile

2-AMINO-2,3-DIMETHYLBUTANENITRILE · 2-AMINO-2,3-DIMETHYL-BUTYRONITRILE · AC-94149 · 2-Amino-2,3-dimethyl · 2-AMino-2,3-diMethyl-butyronitril · Butanenitrile, 2-aMino-2,3-diMethyl- · [(2R)-2-cyano-3-methylbutan-2-yl]ammonium · hot selling 2-Amino-2 3-dimethylbutyronitrile

https://huagongshe.com/de/chemical/94355

Molekülstruktur von 2-Amino-2,3-dimethylbutyronitrile

Identifikatoren & physikalische Daten

CAS No.13893-53-3
SummenformelC6H12N2
Durchschnittliche Molmasse112,17 g/mol
Monoisotopische Masse112,10004838 g/mol
SMILESCC(C)C(C)(N)C#N
InChIKeyCAOHBROWLMCZRP-UHFFFAOYSA-N
PubChem CID94355
ChEMBLCHEMBL3182303
EC No.604-102-1
DTXSIDDTXSID2027759

Chemische & physikalische Eigenschaften

XLogP0,6
Polarare Oberfläche (TPSA)49,8
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome8
Formalladung0
Komplexität120
Physical DescriptionLiquid
Siedepunkt43 °C
Dichte0.896±0.06 g/cm3(Predicted)
Dampfdruck8.98-101430Pa at 20-165.5℃
Lagerbedingungenunder inert gas (nitrogen or Argon) at 2–8 °C
LöslichkeitChloroform, Methanol (Slightly)
pKa (Säurekonstante)5.18±0.25(Predicted)
AggregatzustandOil
FarbeLight Yellow
InChIInChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3
InChIKeyCAOHBROWLMCZRP-UHFFFAOYSA-N
SMILESC(#N)C(N)(C)C(C)C
LogP (Verteilungskoeffizient)0.7 at 23℃ and pH6.1-10.5
CAS Datenbank13893-53-3(CAS DataBase Reference)
EPA chemische Informationen2-Amino-2,3-dimethylbutanenitrile (13893-53-3)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenButanenitrile, 2-amino-2,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanenitrile, 2-amino-2,3-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 08-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/11880
Hazard Classes and CategoriesAcute Tox. 3 (100%)
TSCA-Inventar-StatusTSCA listed
Zollcode2926907090
Toxizitätrat,LD50,skin,95mg/kg (95mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0540156,