Basic information
- CAS
6011-14-9- Standard SMILES
N#CC[NH3+].[Cl-]- InChIKey
XFKYKTBPRBZDFG-UHFFFAOYSA-N- Molecular formula
- C2H5ClN2
- Average molar mass
- 92.53 g/mol
- Monoisotopic mass
- 92.0141259
Overview
See also: Aminoacetonitrile hydrochloride (preferred).
Names & identifiers
- Preferred name
- 2-Aminoethanenitrile, chloride
- IUPAC
- cyanomethylazanium chloride
- English name
- Aminoacetonitrile hydrochloride
- Molecular formula
- C2H5ClN2
- Molecular weight
- 92.53
Names & synonyms
cyanomethylazanium;chlorideUNII-S8L3V1KSB72-aminoethanenitrile, chlorideAKOS024389791ST51044684Glycinonitrile hydrochloridee hydrochLGlycinonitrileHClAminoacetonitrile hyAMINO ACETONITRILE HCL2-Amino-acetonitrile HClAminonitrilehydrochloride
Show more names
Acetonitrile hydrochlorideCyanomethylazanium chloridecyanomethanaminium chloride
Database identifiers
- CAS
6011-14-9- PubChem CID
- 22340
Properties
Computed structural properties
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 39.2
Physicochemical properties
- Melting point
- 172 · 172-174°C
- RTECS
- 1950000 · MC1950000
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Methanol (Slightly, Heated), Water
- form
- Powder
- color
- White to Off-White
- Water Solubility
- 20 °C, · Soluble in water 20°C, 1000g/L.
- Sensitive
- Hygroscopic
- 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 DataBase Reference
- 6011 · 6011-14-9(CAS DataBase Reference)
- FDA UNII
- 8 L3V1KSB7 · S8L3V1KSB7
- EPA Substance Registry System
- Aminoacetonitrile hydrochloride (6011-14-9)
- Symbol(GHS)
- 6 · GHS06
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- ridadr
- 3439
- hs_code
- 29269090
- risk_code
- 20/21/22-36/37/38-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 22-36/37-45-26
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P280h-P305+P351+P338-P309-P310a
Chemistry & industry
Applications
UsesUsed as pharmaceutical intermediates, organic synthetic raw material transportation.
Preparation methods
PreparationSynthesis 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
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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