methanimidamide hydrochloride

• ChemBase ID: 88769
• Molecular Formular: CH5ClN2
• Molecular Mass: 80.5168
• Monoisotopic Mass: 80.01412585
• SMILES: N=CN.Cl
• Canonical SMILES: NC=N.Cl
• InChI: InChI=1S/CH4N2.ClH/c2-1-3;/h1H,(H3,2,3);1H
• InChIKey: NMVVJCLUYUWBSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanimidamide hydrochloride
• IUPAC Traditional name: formamidine hydrochloride
• Synonyms: Imidoformamide hydrochloride; Formamidine hydrochloride; Formimidamide hydrochloride; Formamidine hydrochloride; 甲脒 盐酸盐

Database IDs

• CAS Number: 6313-33-3
• EC Number: 228-639-2
• MDL Number: MFCD00012865
• Beilstein Number: 3906935
• PubChem SID: 24871321; 162075677; 24856284
• PubChem CID: 10313058

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4245942
• LogD (pH = 7.4): -3.4227586
• Log P: -1.0091588
• Molar Refractivity: 22.5695 cm^3
• Polarizability: 4.447926 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79-85 °C; 84-87 °C(lit.); 84-87°C

Safety Information

• Storage Warning: Irritant/Hygroscopic
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (AT); 95+%; 98%
• Grade: purum
• Linear Formula: HN=CHNH2 · HCl

DETAILS

Sigma Aldrich - 268607

Packaging
5, 25 g in glass bottle