(1R,2R)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine

• ChemBase ID: 158373
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: COc1ccc(cc1)[C@H]([C@@H](c1ccc(cc1)OC)N)N
• Canonical SMILES: COc1ccc(cc1)[C@H]([C@@H](c1ccc(cc1)OC)N)N
• InChI: InChI=1S/C16H20N2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,17-18H2,1-2H3/t15-,16-/m1/s1
• InChIKey: ZWMPRHYHRAUVGY-HZPDHXFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine
• IUPAC Traditional name: (1R,2R)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine
• Synonyms: meso-1,2-Bis(4-methoxyphenyl)-1,2-diaminoethane; MOED; meso-1,2-Bis(4-methoxyphenyl)ethylenediamine; (1R,2R)-1,2-Di(4'-methoxyphenyl)-1,2-diaminoethane; (1R,2R)-Bis(4-methoxyphenyl)-1,2-diaminoethane; (R,R)-DAEN; (1R,2R)-Bis(4-methoxyphenyl)-1,2-ethanediamine; 内消旋-1,2-双(4-甲氧苯基)乙二胺; (1R,2R)-双(4-甲氧基苯基)-1,2-乙二胺

Database IDs

• CAS Number: 58520-03-9; 117106-36-2; 58520-04-0
• MDL Number: MFCD08460192; MFCD16661124
• Beilstein Number: 3213681
• PubChem SID: 24849012; 162252509
• PubChem CID: 688261

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.180145
• LogD (pH = 7.4): -0.017531525
• Log P: 1.8306952
• Molar Refractivity: 79.3606 cm^3
• Polarizability: 31.703066 Å^3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150-155 °C; 150-155 °C(lit.); 89-91°C
• Fluorescence: λex 340 nm; λem 460 nm (Saccharide adducts)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (NT); 98%
• Grade: for fluorimetric sugar analysis
• Linear Formula: [CH3OC6H4CH(NH2)-]2

DETAILS

Sigma Aldrich - 15025

Other Notes
Reagent for the quantitative, sensitive detection of catecholamines and reducing sugars by HPLC with fluorescent detection (ex. 275 nm, em. 320 nm)1,2,3