1 3-DIAMINOACETONE DIHYDROCHLORIDE

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Molecular Formula:

C3H8N2O.2ClH.H2O

Molecular Weight:

179.05

CAS Number:

207226-24-2

Catalog Number:

207226-24-2

Product Information

Molecular Formula:

C3H8N2O.2ClH.H2O

Molecular Weight:

179.05

Description

Stability: Solution may discolour on heating.Applications: 1,3-Diaminoacetone Dihydrochloride Monohydrate is a useful research chemical.

Synonyms

1,3-diaminopropan-2-one; hydrate; dihydrochloride; 1,3-Diaminoacetonedihydrochloridemonohydrate; 207226-24-2; NWGWIZCBVTVWAW-UHFFFAOYSA-N

IUPAC Name

1,3-diaminopropan-2-onehydratedihydrochloride

Canonical SMILES

C(C(=O)CN)N.O.Cl.Cl

InChI

InChI=1S/C3H8N2O.2ClH.H2O/c4-1-3(6)2-5;;;/h1-2,4-5H2;2*1H;1H2

InChI Key

NWGWIZCBVTVWAW-UHFFFAOYSA-N

Melting Point

179°C (dec.)(lit.)

Purity

95%

Appearance

Pale Brown Solid

Storage

Hygroscopic, -20°C Freezer, Under inert atmosphere

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

178.0275830 g/mol

Monoisotopic Mass

178.0275830 g/mol

Topological Polar Surface Area

70.1Å²

Heavy Atom Count

Formal Charge

Complexity

46.8

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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1 3-DIAMINOACETONE DIHYDROCHLORIDE

Product Information

Computed Properties

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