1,3-Diaminopropan-2-one--hydrogen chloride--water (1/2/1)
Completing data — refresh the page later to see the latest
Basic information
- CAS
207226-24-2- Standard SMILES
Cl.Cl.NCC(=O)CN.O- InChIKey
NWGWIZCBVTVWAW-UHFFFAOYSA-N- Molecular formula
- C3H12Cl2N2O2
- Average molar mass
- 179.04 g/mol
- Monoisotopic mass
- 178.02758298
Names & identifiers
- Preferred name
- 1,3-Diaminopropan-2-one--hydrogen chloride--water (1/2/1)
- IUPAC
- 1,3-diaminopropan-2-one;hydrate;dihydrochloride
- English name
- 1 3-Diaminoacetone dihydrochloride
- Molecular formula
- C3H11ClN2O2
- Molecular weight
- 142.58
Names & synonyms
207226-24-2DTXSID705979121,3-Diaminopropan-2-one--hydrogen chloride--water (1/2/1)RefChem:218286DTXCID205486711,3-Diaminoacetone dihydrochloride monohydrate1,3-Diaminopropan-2-one dihydrochloride hydrate1,3-diaminopropan-2-one;hydrate;dihydrochlorideC3H12Cl2N2O2MFCD00066966starbld00484181 3-DIAMINOACETONE DIHYDROCHLORIDE
Show more names
1,3-Diaminoacetone monohydrate dihydrochloride1,3-Diamino-2-propanone dihydrochloride monohydrate
SCHEMBL2289332NWGWIZCBVTVWAW-UHFFFAOYSA-NSY4225681,3 Diaminoacetone Dihydrochloride monohydrateG645201,3-Diamino-2-propanone Dihydrochloride Hydrate1,3-Diaminoacetone monohydrate dihydrochlorideF245676
Database identifiers
- CAS
207226-24-2- PubChem CID
- 19083739
- DTXSID
DTXSID70597912
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 46.8
Physicochemical properties
- Melting point
- 179 °C · 179 °C (dec.)(lit.)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- DMSO (Soluble, Heated, Sonicated), Methanol (Slightly, Sonicated), Water (Slight
- form
- Solid
- color
- Pale Beige to Brown
- Stability
- Hygroscopic, Solution May Discolour On Heating
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- WGK Germany
- 3 · 3
- RTECS
- 1425700 · UC1425700
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
- wgk
- 3
- rtecs
- UC1425700
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses1,3-Diaminoacetone Dihydrochloride Monohydrate could be useful for the preparation of oxazoles and oxazolones.
Related reactions
6 records
Compound notes
Loading…