N'-hydroxymethanimidamide

• ChemBase ID: 76221
• Molecular Formular: CH4N2O
• Molecular Mass: 60.05526
• Monoisotopic Mass: 60.03236276
• SMILES: N/C=N/O
• Canonical SMILES: N/C=N/O
• InChI: InChI=1S/CH4N2O/c2-1-3-4/h1,4H,(H2,2,3)
• InChIKey: IONSZLINWCGRRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxymethanimidamide; (E)-N'-hydroxymethenimidamide
• IUPAC Traditional name: formamide oxime; N-hydroxymethanimidamide
• Synonyms: Formamidoxime; Formamidoxime; N'-hydroxyimidoformamide; 氨基甲肟

Database IDs

• CAS Number: 624-82-8
• EC Number: 210-865-8
• MDL Number: MFCD00008125
• PubChem SID: 24848456; 162041129
• PubChem CID: 9561073

CALCULATED PROPERTIES

• Acid pKa: 12.33457
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2216578
• LogD (pH = 7.4): -1.0157267
• Log P: -1.0123405
• Molar Refractivity: 13.9192 cm^3
• Polarizability: 5.209992 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 115°C; 112-115 °C(lit.); 112-115°C
• Hydrophobicity(logP): -1.287

Safety Information

• Storage Warning: Harmful
• RTECS: LQ4632000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-40
• Safety Statements: 22-36
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H351
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 99%
• Linear Formula: HC(=NOH)NH2

DETAILS

Apollo Scientific Ltd - OR12756

DNA synthesis inhibitor

Sigma Aldrich - 140198

Application
DNA synthesis inhibitor.
Packaging
5, 25 g in glass bottle