2-[(4-amino-3-methylphenyl)(ethyl)amino]ethan-1-ol; sulfuric acid

• ChemBase ID: 130614
• Molecular Formular: C11H20N2O5S
• Molecular Mass: 292.3519
• Monoisotopic Mass: 292.10929275
• SMILES: CCN(CCO)c1ccc(c(c1)C)N.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.OCCN(c1ccc(c(c1)C)N)CC
• InChI: InChI=1S/C11H18N2O.H2O4S/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10;1-5(2,3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H2,1,2,3,4)
• InChIKey: GVEYRUKUJCHJSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-amino-3-methylphenyl)(ethyl)amino]ethan-1-ol; sulfuric acid
• IUPAC Traditional name: CD 4 color developer; sulfuric acid
• Synonyms: N4-Ethyl-N4-(2-hydroxyethyl)-2-methyl-1,4-phenylenediamine sulfate salt; 4-(N-乙基-N-羟乙基)-2-甲基苯二胺硫酸盐 硫酸盐

Database IDs

• CAS Number: 25646-77-9
• EC Number: 247-162-0
• MDL Number: MFCD00035563
• PubChem SID: 24894569; 162224892
• PubChem CID: 91579

CALCULATED PROPERTIES

• Acid pKa: 15.579251
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8261057
• LogD (pH = 7.4): 1.4160429
• Log P: 1.4324911
• Molar Refractivity: 61.2691 cm^3
• Polarizability: 22.357157 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: KJ6477000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 25-43-48/22-50/53
• Safety Statements: 24-37-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H317-H373-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P501
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Suitability: suitable for photographic applications