1-N,1-N-dimethylbenzene-1,3-diamine dihydrochloride

• ChemBase ID: 88361
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: N(c1cc(ccc1)N)(C)C.Cl.Cl
• Canonical SMILES: Nc1cccc(c1)N(C)C.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-10(2)8-5-3-4-7(9)6-8;;/h3-6H,9H2,1-2H3;2*1H
• InChIKey: BZJPIQKDEGXVFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-dimethylbenzene-1,3-diamine dihydrochloride; N1,N1-dimethylbenzene-1,3-diamine dihydrochloride
• IUPAC Traditional name: 1-N,1-N-dimethylbenzene-1,3-diamine dihydrochloride; N1,N1-dimethylbenzene-1,3-diamine dihydrochloride
• Synonyms: N,N-Dimethyl-m-phenylenediamine dihydrochloride; N,N-Dimethylphenylene-1,3-diamine dihydrochloride; N,N-Dimethylbenzene-1,3-diamine dihydrochloride; 3-Amino-N,N-dimethylaniline; m-[Dimethylamino]aniline; N,N-DIMETHYL-m-PHENYLENEDIAMINE DIHYDROCHLORIDE; 3-(Dimethylamino)aniline dihydrochloride; 3-Amino-N,N-dimethylaniline dihydrochloride; N,N-Dimethyl-m-phenylenediamine dihydrochloride; N,N-Dimethyl-1,3-phenylenediamine dihydrochloride; N1,N1-DiMethylbenzene-1,3-diaMine dihydrochloride; 3-(二甲氨基)苯胺 二盐酸盐; N,N-二甲基-1,3-苯二胺 二盐酸盐; 间氨基-N,N-二甲基苯胺 二盐酸盐; N,N-二甲基间苯二胺 二盐酸盐

Database IDs

• CAS Number: 3575-32-4
• EC Number: 222-693-0
• MDL Number: MFCD00012971
• Beilstein Number: 3694384
• PubChem SID: 24853115; 24846111; 162075322
• PubChem CID: 77124

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9581933
• LogD (pH = 7.4): 1.2470868
• Log P: 1.2523637
• Molar Refractivity: 45.187 cm^3
• Polarizability: 16.305454 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217 °C (dec.)(lit.); 217°C ( decomposes); 217-220 °C (dec.); 218 - 220°C
• Hydrophobicity(logP): 1.08

Safety Information

• Storage Condition: 2-8°C, Desiccate, Store Under Nitrogen, Protect from light
• Storage Warning: Toxic/Harmful/Light Sensitive
• European Hazard Symbols: Toxic (T)
• UN Number: 1673; 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 25-36/37/38-43; R:25-40
• Safety Statements: 36/37/39-45; S:28-45-53-36/37/39
• 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: H301-H315-H317-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥98.0% (AT); 95%; 97%; 99%
• Grade: purum
• Linear Formula: (CH3)2NC6H4NH2·2HCl
• Empirical Formula (Hill Notation): C8H12N2 · 2HCl

DETAILS

MP Biomedicals - 02157838

Dihydrochloride
Off-white to tan crystals.

MP Biomedicals - 05211436

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 219223

Packaging
5, 25 g in glass bottle