methanediamine dihydrochloride

• ChemBase ID: 111839
• Molecular Formular: CH8Cl2N2
• Molecular Mass: 118.99362
• Monoisotopic Mass: 118.00645363
• SMILES: Cl.Cl.NCN
• Canonical SMILES: NCN.Cl.Cl
• InChI: InChI=1S/CH6N2.2ClH/c2-1-3;;/h1-3H2;2*1H
• InChIKey: QCYJCJJCNRIMNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanediamine dihydrochloride
• IUPAC Traditional name: methanediamine dihydrochloride
• Synonyms: METHYLENEDIAMINE DIHYDROCHLORIDE; Diaminomethane dihydrochloride; Methylenediamine dihydrochloride; 二氨基甲烷 二盐酸盐; 亚甲基二胺 二盐酸盐

Database IDs

• CAS Number: 57166-92-4
• EC Number: 260-602-6
• MDL Number: MFCD00040377
• Beilstein Number: 3664689
• PubChem SID: 24884936; 162096640
• PubChem CID: 171572

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.7789187
• LogD (pH = 7.4): -2.513733
• Log P: -1.3123417
• Molar Refractivity: 12.6781 cm^3
• Polarizability: 5.6274314 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (AT)
• Linear Formula: CH2(NH2)2 · 2HCl

DETAILS

MP Biomedicals - 05221241

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 66770

Packaging
10 g in glass bottle