bis(1-N,1-N-dimethylbenzene-1,4-diamine); oxalic acid

• ChemBase ID: 105931
• Molecular Formular: C18H26N4O4
• Molecular Mass: 362.42344
• Monoisotopic Mass: 362.19540533
• SMILES: CN(C)c1ccc(N)cc1.CN(C)c1ccc(N)cc1.OC(=O)C(=O)O
• Canonical SMILES: CN(c1ccc(cc1)N)C.CN(c1ccc(cc1)N)C.OC(=O)C(=O)O
• InChI: InChI=1S/2C8H12N2.C2H2O4/c2*1-10(2)8-5-3-7(9)4-6-8;3-1(4)2(5)6/h2*3-6H,9H2,1-2H3;(H,3,4)(H,5,6)
• InChIKey: MNUINXKPLPIOEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1-N,1-N-dimethylbenzene-1,4-diamine); oxalic acid
• IUPAC Traditional name: bis(dimethyl-p-phenylenediamine); oxalic acid
• Synonyms: N,N-Dimethyl-p-phenylenediamine hemioxalate salt; N,N-Dimethyl-1,4-phenylenediamine oxalate; DMPPDA; N,N-Dimethyl-p-phenylenediamine hemioxalate salt; N,N-Dimethyl-1,4-benzenediamine Ethanedioate; N,N-DIMETHYL-p-PHENYLENEDIAMINE OXALATE; N,N-二甲基-1,4-苯二胺草酸盐; N,N-二甲基对苯二胺 半草酸盐; 4-氨基-N,N-二甲基苯胺 半草酸盐; 对二甲氨基苯胺 半草酸盐; N,N-二甲基对苯二胺 半草酸盐

Database IDs

• CAS Number: 62778-12-5
• EC Number: 263-723-2
• MDL Number: MFCD00036387
• PubChem SID: 162092696; 24865671
• PubChem CID: 112942

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: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205 °C (dec.)(lit.); 205°C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Store Under Nitrogen
• RTECS: CZ1586550
• European Hazard Symbols: Toxic (T); Highly toxic (T+)
• UN Number: 1673; 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; III
• Australian Hazchem: 2X
• Risk Statements: 20/21-28-36/37/38-43; R:25-40
• Safety Statements: 26-36/37/39-45; S:28-36/37/39-45-53
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H312-H315-H317-H319-H332-H335
• GHS Precautionary statements: P261-P264-P280-P301 + P310-P305 + P351 + P338
• 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 2

Product Information

• Purity: 98%
• Linear Formula: [(CH3)2NC6H4NH2]2·H2C2O4

DETAILS

MP Biomedicals - 02195149

Darkens readily when exposed to air.

Sigma Aldrich - D4267

Caution
暴露于空气中易于变暗。

Sigma Aldrich - 409758

Packaging
5, 25 g in glass bottle