1-N,1-N-dimethylbenzene-1,4-diamine dihydrochloride

• ChemBase ID: 89666
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: Nc1ccc(cc1)N(C)C.Cl.Cl
• Canonical SMILES: CN(c1ccc(cc1)N)C.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-10(2)8-5-3-7(9)4-6-8;;/h3-6H,9H2,1-2H3;2*1H
• InChIKey: IAEDWDXMFDKWFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-dimethylbenzene-1,4-diamine dihydrochloride
• IUPAC Traditional name: dimethyl-p-phenylenediamine dihydrochloride
• Synonyms: 4-Dimethylaminoaniline dihydrochloride; DMPD · 2HCl; DMPPDA · 2HCl; N,N-Dimethyl-p-phenylenediamine dihydrochloride; N,N-DIMETHYL-p-PHENYLENEDIAMINE DIHYDROCHLORIDE; 1-N,1-N-dimethylbenzene-1,4-diamine dihydrochloride; 4-Amino-N,N-dimethylaniline dihydrochloride; 4-(Dimethylamino)aniline dihydrochloride; N1,N1-Dimethylbenzene-1,4-diamine dihydrochloride; N,N-二甲基对苯二胺二盐酸盐; 4-氨基-N,N-二甲基苯胺 二盐酸盐; N,N-二甲基对苯二胺 二盐酸盐

Database IDs

• CAS Number: 536-46-9
• EC Number: 208-635-7
• MDL Number: MFCD00012991
• Beilstein Number: 3913463
• PubChem SID: 24893818; 24846114; 24846112; 24846113; 162076529
• PubChem CID: 2724166

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.047667995
• LogD (pH = 7.4): 1.1568817
• Log P: 1.2523637
• Molar Refractivity: 45.187 cm^3
• Polarizability: 16.303928 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Melting Point: 202 - 204°C; 210-215 °C (dec.); 212°C dec.; 222 °C (dec.)(lit.); 222(dec.)°C; 34°C
• Boiling Point: 262°C
• Hydrophobicity(logP): 1.08

Safety Information

• Storage Warning: Toxic/Irritant/Corrosive/Hygroscopic/Light Sensitive/Air Sensitive/Keep Cold/Store under Argon
• RTECS: ST1300000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23/24/25; 23/24/25-36/37/38
• Safety Statements: 26-28-36/37-45; 36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H315-H319-H335; H300-H311 + H331-H319; H311-H319-H331
• GHS Precautionary statements: P260-P301+P310-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A; P261-P264-P280-P301 + P310-P305 + P351 + P338-P311; P261-P280-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2
• Storage Temperature: room temp

Product Information

• Purity: ≥98.0% (AT); ≥99.0%; ≥99.0% (AT); ≥99.0% (titration); ≥99.5% (HPLC); 60%; 98%
• Grade: for microbiology; purum
• Salt Data: 2HCl
• Suitability: suitable for peroxidase test
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Na: ≤500 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤0.05% loss on ignition
• Linear Formula: (CH3)2NC6H4NH2 · 2HCl

DETAILS

MP Biomedicals - 05209364

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D4139

Caution
Darkens readily when exposed to air.
包装
10, 25, 100 g in glass bottle

Sigma Aldrich - 07770

Caution
May discolor to red on storage.

Sigma Aldrich - 07767

Other Notes
Quantitation of labile sulfide in proteins by the "methylene blue" method1; Detection of sterol hydroperoxides on irrigated thin-layer chromato-plates using N,N-dimethyl-p-phenylenediamine dihydrochloride2; Preparation of the "nadi reagent" and demonstration of cytochrome oxidase activity in chick embryos3