1,3-Diaminopropan-2-one--hydrogen chloride--water (1/2/1)

HCID 19083739CAS 207226-24-2

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Basic information

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 properties

Topological polar surface area: 70.1 Å²
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