1-N,1-N-dimethylbenzene-1,3-bis(aminium) dichloride

• ChemBase ID: 301848
• Molecular Formular: C8H12Cl2N2
• Molecular Mass: 207.10028
• Monoisotopic Mass: 206.03775375
• SMILES: C[N+](C)c1cccc(c1)[NH2+].[Cl-].[Cl-]
• Canonical SMILES: C[N+](c1cccc(c1)[NH2+])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-bis(aminium) dichloride
• IUPAC Traditional name: 1-N,1-N-dimethylbenzene-1,3-bis(aminium) dichloride
• Synonyms: 3-Amino-N,N-dimethylaniline dihydrochloride; 3-Dimethylaminoaniline dihydrochloride; N,N-Dimethyl-m-phenylenediamine dihydrochloride; 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

CALCULATED PROPERTIES

• Polarizability: 16.896532 Å^3
• Polar Surface Area: 32.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 0.9581933
• LogD (pH = 7.4): 1.2470868
• Log P: 1.2523637
• Molar Refractivity: 65.7138 cm^3

PROPERTIES

Physical Property

• Melting Point: 216°C dec.

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/24/25-36/37/38
• Safety Statements: 26-28-36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H300-H310-H330-H315-H319-H335
• GHS Precautionary statements: P260-P301+P310-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A

Product Information

• Purity: 99%