1,2-dimethylhydrazine dihydrochloride

• ChemBase ID: 108094
• Molecular Formular: C2H10Cl2N2
• Molecular Mass: 133.0202
• Monoisotopic Mass: 132.02210369
• SMILES: Cl.Cl.CNNC
• Canonical SMILES: CNNC.Cl.Cl
• InChI: InChI=1S/C2H8N2.2ClH/c1-3-4-2;;/h3-4H,1-2H3;2*1H
• InChIKey: WLDRFJDGKMTPPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethylhydrazine dihydrochloride; 2-oxocyclopentane-1-carbonitrile
• IUPAC Traditional name: 1,2-dimethylhydrazine dihydrochloride; 2-oxocyclopentane-1-carbonitrile
• Synonyms: 1,2-Dimethylhydrazine dihydrochloride; 1,2-Dimethylhydrazine dihydrochloride; N,N′-Dimethylhydrazine (sym.) dihydrochloride; N,N′-Dimethylhydrazine dihydrochloride; N,N'-DIMETHYLHYDRAZINE DIHYDROCHLORIDE; 1,2-Dimethylhydrazine dihydrochloride; Cyclopentanone-2-carbonitrile; 1,2-二甲基肼二盐酸盐; N,N′-二甲基肼（对称） 二盐酸盐; N,N′-二甲基肼 二盐酸盐; 1,2-二甲基肼 二盐酸盐

Database IDs

• CAS Number: 2941-29-9; 306-37-6
• EC Number: 206-183-5
• MDL Number: MFCD00012522
• Beilstein Number: 3905684
• PubChem SID: 24865411; 162093806; 24893498
• PubChem CID: 9380

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2704653
• LogD (pH = 7.4): -0.6069483
• Log P: -0.58643824
• Molar Refractivity: 39.2232 cm^3
• Polarizability: 7.268188 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~168 °C (dec.); 167-169 °C (dec.)(lit.)

Safety Information

• RTECS: MV2800000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 45-23/24/25-51/53; R:25
• Safety Statements: 53-45-61; S:28-29-36/37/39-45
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331-H350
• GHS Precautionary statements: P201-P261-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥99.0% (AT); 98%
• Grade: puriss.
• Linear Formula: CH3NHNHCH3 · 2HCl

DETAILS

Sigma Aldrich - D161802

Biochem/physiol Actions
Induces colon cancer in rats and mice.
Packaging
1, 10 g in glass bottle

Sigma Aldrich - 40690

Other Notes
Mutagen, used for the experimental induction of colon cancer1