1-(carbamoylamino)formamide

• ChemBase ID: 102297
• Molecular Formular: C2H5N3O2
• Molecular Mass: 103.08
• Monoisotopic Mass: 103.03817642
• SMILES: NC(=O)NC(=O)N
• Canonical SMILES: NC(=O)NC(=O)N
• InChI: InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
• InChIKey: OHJMTUPIZMNBFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(carbamoylamino)formamide
• IUPAC Systematic name: (Carbamoylamino)methanamide
• IUPAC Traditional name: biuret
• Synonyms: Carbamoylurea; Biuret; 1-(carbamoylamino)formamide; ALLOPHANAMIDE; ALLOPHANAMIDE, 55%; Allophanamide; Allophanic acid amide, Carbamoylurea; BIURET; Carbamylurea; Allophanic acid amide; Allophanimidic acid; N-Carbamoylaminomethanamide; Ureidoformamide; Imidodicarbonic diamide; Biuret reagent; 亚氨基二碳酸二酰胺; 胺甲酰脲; 缩二脲; 缩二脲试剂

Database IDs

• CAS Number: 108-19-0
• EC Number: 203-559-0
• MDL Number: MFCD00007946
• Beilstein Number: 1703510
• Merck Index: 141309
• PubChem SID: 162088689; 24849251
• PubChem CID: 7913
• CHEBI ID: 18138
• Chemspider ID: 7625
• Gmelin ID: 49702
• KEGG ID: C06555
• MeSH Name: Biuret
• Wikipedia Title: Biuret

CALCULATED PROPERTIES

• Acid pKa: 11.795415
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.7087713
• LogD (pH = 7.4): -1.7087883
• Log P: -1.7087711
• Molar Refractivity: 21.3852 cm^3
• Polarizability: 8.194691 Å^3
• Polar Surface Area: 98.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White crystals
• Melting Point: 185-190 °C (dec.)(lit.); 188-190°C (decomposes); ca 189°C dec.
• Density: 1.46
• Odor: Odourless
• Heat Capacity: 131.3 J K^-1 mol^-1
• Std enthalpy of combustion: -940.1–-935.9 kJ mol^-1
• Std enthalpy of formation: -565.8–-561.6 kJ mol^-1
• Std molar entropy: 146.1 J K^-1 mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: -; 3
• Risk Statements: 36/37/38; R:36/37/38; r36/37/38
• Safety Statements: 26; 26-36; 26-36/37; S:20-25-26-37/39; s26, s36
• TSCA Listed: 是
• GHS Pictograms: gHS exclamation mark; GHS07
• GHS Signal Word: WARNING; Warning
• GHS Hazard statements: 315, 319, 335; H315-H319-H335
• GHS Precautionary statements: 261, 305+351+338; P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ~95%; 97%
• Impurities: ≤1% water
• Clinical: for in vitro diagnostic use
• Linear Formula: NH2CONHCONH2

DETAILS

MP Biomedicals - 05206443

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101041

Purity: ~95%

Sigma Aldrich - 15270

Packaging
25, 100 g in poly bottle

Sigma Aldrich - B54207

Packaging
25, 100 g in poly bottle