carbonic acid; bis(guanidine)

• ChemBase ID: 90391
• Molecular Formular: C3H12N6O3
• Molecular Mass: 180.16578
• Monoisotopic Mass: 180.09708827
• SMILES: NC(=N)N.NC(=N)N.OC(=O)O
• Canonical SMILES: NC(=N)N.NC(=N)N.OC(=O)O
• InChI: InChI=1S/2CH5N3.CH2O3/c3*2-1(3)4/h2*(H5,2,3,4);(H2,2,3,4)
• InChIKey: STIAPHVBRDNOAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: carbonic acid; bis(guanidine)
• IUPAC Traditional name: bis(guanidine); soda; carbonic acid; bis(guanidine)
• Synonyms: Guanidine carbonate; Guanidine carbonate; Guanidine carbonate salt; 碳酸胍; 胍 碳酸盐

Database IDs

• CAS Number: 3425-08-9; 593-85-1
• EC Number: 209-813-7
• MDL Number: MFCD00013029
• Beilstein Number: 3628359
• PubChem SID: 24873452; 162077204; 24895048
• PubChem CID: 11650

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.6522877
• LogD (pH = 7.4): -3.6514976
• Log P: -1.236839
• Molar Refractivity: 25.8588 cm^3
• Polarizability: 5.61125 Å^3
• Polar Surface Area: 75.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); ca 198°C dec.

Safety Information

• Storage Warning: Harmful/Irritant/Hygroscopic/Store under Argon
• RTECS: FG1750000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36; 26-36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥97.0% (NT); 98%; 99%
• Grade: purum
• Linear Formula: NH2C(=NH)NH2 · ½H2CO3

DETAILS

MP Biomedicals - 05209460

MP Biomedicals Rare Chemical collection

Sigma Aldrich - G11659

Packaging
1 kg in poly bottle
250 g in poly bottle
5 g in glass bottle