phenazine-2,3-diamine

• ChemBase ID: 28425
• Molecular Formular: C12H10N4
• Molecular Mass: 210.2346
• Monoisotopic Mass: 210.09054634
• SMILES: n1c2c(nc3c1cccc3)cc(c(c2)N)N
• Canonical SMILES: Nc1cc2nc3ccccc3nc2cc1N
• InChI: InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2
• InChIKey: VZPGINJWPPHRLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenazine-2,3-diamine
• IUPAC Traditional name: 2,3-diaminophenazine
• Synonyms: 2,3-Phenazinediamine; 2,3-Diaminophenazine; Phenazine-2,3-diamine; 2,3-Diaminophenazine; 2,3-吩嗪二胺; 2,3-二氨基吩嗪

Database IDs

• CAS Number: 655-86-7
• EC Number: 211-512-0
• MDL Number: MFCD00160693
• PubChem SID: 24884527; 160991732
• PubChem CID: 410099

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3686314
• LogD (pH = 7.4): 1.4019612
• Log P: 1.4024038
• Molar Refractivity: 62.5574 cm^3
• Polarizability: 25.937067 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C; >300°C
• Partition Coefficient: 1.65753

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: SG1577650
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%; 95+%
• Empirical Formula (Hill Notation): C12H10N4

DETAILS

Sigma Aldrich - 661376

Packaging
5, 25 g in glass bottle