1-N,1-N-dimethylbenzene-1,4-diamine; sulfuric acid

• ChemBase ID: 87282
• Molecular Formular: C8H14N2O4S
• Molecular Mass: 234.27276
• Monoisotopic Mass: 234.06742794
• SMILES: S(=O)(=O)(O)O.N(c1ccc(cc1)N)(C)C
• Canonical SMILES: OS(=O)(=O)O.CN(c1ccc(cc1)N)C
• InChI: InChI=1S/C8H12N2.H2O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,9H2,1-2H3;(H2,1,2,3,4)
• InChIKey: GLUKPDKNLKRLHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-dimethylbenzene-1,4-diamine; sulfuric acid
• IUPAC Traditional name: dimethyl-p-phenylenediamine; sulfuric acid
• Synonyms: N.N-Dimethylbenzene-1,4-diamine sulphate; 4-Amino-N,N-dimethylaniline sulphate; N1,N1-Dimethylbenzene-1,4-diamine sulfate; 4-Amino-N,N-dimethylaniline sulfate; 4-Dimethylaminoaniline sulfate; N,N-Dimethyl-p-phenylenediamine sulfate; DMPPDA; N,N-Dimethyl-p-phenylenediamine sulfate salt; 4-(Dimethylamino)aniline sulfate salt; 4-Amino-N,N-dimethylaniline sulfate salt; N,N-二甲基对苯二胺硫酸盐; 4-氨基-N,N-二甲基苯胺 硫酸盐; 对二甲氨基苯胺 硫酸盐; N,N-二甲基对苯二胺 硫酸盐

Database IDs

• CAS Number: 6219-73-4; 536-47-0
• EC Number: 208-636-2
• MDL Number: MFCD00012992
• Beilstein Number: 4612278
• PubChem SID: 24846116; 24893899; 162074393; 24851217
• PubChem CID: 80351

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

• Melting Point: 200-205 °C (dec.)(lit.); 200-205°C; 200-205°C dec.
• Boiling Point: 495 °C(lit.); 495°C

Safety Information

• Storage Warning: Hygroscopic/Light Sensitive/Toxic; Light Sensitive & Hygroscopic
• RTECS: ST1575000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23/24/25-36/37/38
• Safety Statements: 26-28-36/37-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H310-H331-H315-H319-H335; H301-H311-H315-H319-H331-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311; P280H-P305+P351+P338-P302+P352-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (T); 95+%; 98%
• Grade: purum
• Linear Formula: (CH3)2NC6H4NH2·H2SO4

DETAILS

Sigma Aldrich - 186384

Packaging
25, 100 g in glass bottle