(1R,2R)-1,2-Bis(4-methoxyphenyl)ethane-1,2-diamine - ≥97%,≥99%(ee) , CAS No.58520-03-9

CAS: 58520-03-9 Cat. No.: R400616 Molecular Weight: 272.34 EC Number: 676-584-1

Synonyms

(1S,2S)-1,2-DI(4'-METHOXYPHENYL)-1,2-DIAMINOETHANE | 1,2-Ethanediamine, 1,2-bis(4-methoxyphenyl)-, [S-(R*,R*)]- | N14389 | AKOS015915303 | AC-19122 | MFCD08460191 | pound 1S pound not2S pound(c)-1 pound not2- DI(4 inverted exclamation mark -METHOXY PHENYL

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(1S, 2S)-1, 2-DI(4'-METHOXYPHENYL)-1, 2-DIAMINOETHANE | 1, 2-Ethanediamine, 1, 2-bis(4-methoxyphenyl)-, [S-(R*, R*)]- | N14389 | AKOS015915303 | AC-19122 | MFCD08460191 | pound 1S pound not2S pound(c)-1 pound not2- DI(4 inverted exclamation mark -METHOXY PHENYL

Specifications & Purity

≥97%, ≥99%(ee)

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)OC)N)N
• IUPAC Name: (1S,2S)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine
• InChIKey: ZWMPRHYHRAUVGY-HOTGVXAUSA-N
• 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-/m0/s1
• Isomeric SMILES: COC1=CC=C(C=C1)[C@@H]([C@H](C2=CC=C(C=C2)OC)N)N
• Molecular Weight: 272.34
• Reaxy-Rn: 3533228
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3533228&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Ether - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 89-91℃
• Molecular Weight: 272.340 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 272.152 Da
• Monoisotopic Mass: 272.152 Da
• Topological Polar Surface Area: 70.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 244.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1