aminourea hydrochloride

• ChemBase ID: 78457
• Molecular Formular: CH6ClN3O
• Molecular Mass: 111.53084
• Monoisotopic Mass: 111.01993951
• SMILES: NNC(=O)N.Cl
• Canonical SMILES: NNC(=O)N.Cl
• InChI: InChI=1S/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H
• InChIKey: XHQYBDSXTDXSHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aminourea hydrochloride
• IUPAC Traditional name: semicarbazide hydrochloride
• Synonyms: N-Aminourea hydrochloride; hydrazinecarboxamide hydrochloride; Aminourea hydrochloride; Hydrazine carboxamide hydrochloride; Semicarbazide hydrochloride; Semicarbazide hydrochloride; Hydrazinecarboxamide Monohydrochloride; Semicarbazide Chloride; SEM; 氨基脲盐酸盐; N-氨基脲 盐酸盐; 氨基甲酰肼 盐酸盐; 氨基脲 盐酸盐

Database IDs

• CAS Number: 563-41-7
• EC Number: 209-247-0
• MDL Number: MFCD00013009
• Beilstein Number: 3593642
• Merck Index: 148444
• PubChem SID: 24888285; 162043224; 24860394; 24278197
• PubChem CID: 11236

CALCULATED PROPERTIES

• Acid pKa: 12.845258
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.6619806
• LogD (pH = 7.4): -1.6603328
• Log P: -1.6603096
• Molar Refractivity: 17.6267 cm^3
• Polarizability: 6.4545155 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: alcohol: very slightly soluble (hot); H2O: soluble; H2O: soluble0.1 g/mL at 20 °C, clear, colorless; Methanol; Water
• Apperance: white; White Solid
• Melting Point: 175-177 °C (dec.)(lit.); 175-177°C (dec.); 175-177(dec)°C; 206-210°C; ca 176°C dec.

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under inert atmosphere; Room Temperature (15-30°C)
• RTECS: VT3500000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 25; 25-36/37/38
• Safety Statements: 26-36/37-45; 45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301; H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: >99%; ≥98.0% (AT); ≥99%; ≥99.0%; 95+%; 98%; 99%
• Grade: for analytical purposes; p.a.; purum p.a.; SAJ special grade; VETRANAL™, analytical standard
• Salt Data: HCl
• Ignition Residue: ≤0.1%
• Impurities: ≤0.01% Alcohol (GC); ≤0.01% Hydrazine; ≤0.05% hydrazine traces
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Na: ≤100 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: sulfate (SO42-): ≤50 mg/kg
• Linear Formula: NH2CONHNH2 · HCl

DETAILS

MP Biomedicals - 02102864

Hydrochloride
Crystalline, 99%
Urease substrate and MAO inhibitor

Sigma Aldrich - S107

Caution
光敏

Sigma Aldrich - S2201

Application
Derivatization reagent for aldehydes and ketones which produces crystalline compounds with characteristic melting points.
Packaging
100, 500 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 33656

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

Toronto Research Chemicals - S258200

A metabolite of Nitrofuran.

REFERENCES

• Elliott, J., et al.: J. Pharm. Pharmacol., 41, 37 (1989)
• Tribalat, L., et al.: Anal. Bioanal. Chem., 386, 2168 (1989)
• Chu, P., et al.: J. Agric. Food Chem., 55, 2129 (1989)
• Derivatizing agent for carbonyl compounds as their semicarbazones. Also used in heterocyclic synthesis. Semicarbazone formation has been used to separate carbonyl compounds from mixtures by adsorption onto silica gel from a hydrocarbon solution. Regeneration is by hydrolysis with oxalic acid: Tetrahedron, 37, 843 (1981).
• Other reagents for the cleavage of semicarbazones include: Amberlyst. 15 in aqueous acetone: J .Chem. Soc., Perkin 1, 2563 (1988); Dowex. 50 in aqueous suspension: J. Org. Chem., 53, 878 (1988); CuSO₄ in aqueous THF: J. Prakt. Chem., 322 1063 (1980).