methoxymethanimidamide; sulfuric acid

• ChemBase ID: 104344
• Molecular Formular: C2H8N2O5S
• Molecular Mass: 172.16032
• Monoisotopic Mass: 172.01539237
• SMILES: COC(=N)N.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.COC(=N)N
• InChI: InChI=1S/C2H6N2O.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4)
• InChIKey: MDFRYRPNRLLJHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methoxymethanimidamide; sulfuric acid
• IUPAC Traditional name: methoxymethanimidamide; sulfuric acid
• Synonyms: 2-Methylpseudourea sulfate; O-METHYLISOUREA; OMI®; 2-Methylpseudourea monosulfate (1:1); o-Methylisourea bisulfate; O-Methylisourea monosulfate (1:1); Methyl carbamimidate sulfate; 2-甲基假脲 单硫酸盐 (1:1); o-甲基异尿素硫酸氢盐; O-甲基异脲 单硫酸盐 (1:1)

Database IDs

• CAS Number: 29427-58-5
• EC Number: 249-622-6
• MDL Number: MFCD00013132
• Beilstein Number: 3722928
• PubChem SID: 24896819; 162091042
• PubChem CID: 169039

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.777157
• LogD (pH = 7.4): -2.2703793
• Log P: -0.3742357
• Molar Refractivity: 28.9525 cm^3
• Polarizability: 7.0190883 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114-118 °C; 118°C; 118-120 °C(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... OPRD1(4985), OPRK1(4986), OPRM1(4988)rat ... Oprd1(24613), Oprm1(25601)

Product Information

• Purity: ≥95.0% (T); 95+%; 99%
• Grade: purum
• Linear Formula: H2NC(OCH3)=NH · H2SO4

DETAILS

MP Biomedicals - 02155591

(2-Methylpseudourea sulfate) Sulfate Salt

Sigma Aldrich - M53701

Packaging
25 g in poly bottle
5 g in glass bottle
Legal Information
OMI is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 67714

Other Notes
For the methylation of thiol groups in protein1; A group specific reagent for the guanidination of free amino groups2,3; Esterification and alkylation reactions4
Legal Information
OMI is a registered trademark of Sigma-Aldrich Co. LLC