1-aminoguanidine; carbonic acid

• ChemBase ID: 103009
• Molecular Formular: C2H8N4O3
• Molecular Mass: 136.10992
• Monoisotopic Mass: 136.05964014
• SMILES: NNC(=N)N.OC(=O)O
• Canonical SMILES: OC(=O)O.NNC(=N)N
• InChI: InChI=1S/CH6N4.CH2O3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H2,2,3,4)
• InChIKey: OTXHZHQQWQTQMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminoguanidine; carbonic acid
• IUPAC Traditional name: aminoguanidine; soda; aminoguanidine; carbonic acid
• Synonyms: Amino guanidine bicarbonate; Guanylhydrazine bicarbonate; Aminoguanidine hydrogencarbonate; Guanylhydrazine hydrogencarbonate; AMINOGUANIDINE BICARBONATE; Aminoguanidine bicarbonate; Aminoguanidine hydrogen carbonate; 氨基胍碳酸氢盐; 氨基胍酸式碳酸盐; 氨基胍重碳酸盐; 碳酸氢氨基胍

Database IDs

• CAS Number: 2582-30-1
• EC Number: 219-956-7
• MDL Number: MFCD00012949
• Beilstein Number: 3569869
• PubChem SID: 162091241; 24846902
• PubChem CID: 164944

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -3.9215941
• LogD (pH = 7.4): -3.8816965
• Log P: -1.4684814
• Molar Refractivity: 40.8357 cm^3
• Polarizability: 7.0459237 Å^3
• Polar Surface Area: 87.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125°C; 170-172 °C (dec.)(lit.); ca 170°C dec.; ca. 125 °C
• Density: 1.600; 700 kg/m3 at 20 °C (bulk density)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: FG1772000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi); Harmful (Xn)
• UN Number: UN3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 43-51/53; R:22
• Safety Statements: 24-37-57; 36/37; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H317-H411; H317-H411-H401
• GHS Precautionary statements: P261-P280-P302+P352-P321-P363-P501A; P273-P280
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 98+%
• Linear Formula: NH2NHC(=NH)NH2 · H2CO3

DETAILS

MP Biomedicals - 02150349

Crystalline

Sigma Aldrich - 109266

Packaging
100, 500 g in poly bottle