(±)-1,2-Diphenylethylenediamine - ≥98% , CAS No.16635-95-3

CAS: 16635-95-3 Cat. No.: D120022 Summenformel: C₁₄H₁₆N₂ Molekulargewicht: 212.30 EG-Nummer: 605-438-1

GRADE & PURITY ≥98%

Synonyms

ghl.PD_Mitscher_leg0.530 | SB76790 | (1s,2s)-(-)-1,2-diphenylethylene-1,2-diamine | (2-amino-1,2-diphenyl-ethyl)-amine | 1,2-Diphenylethylenediamine | Aripiprazole Depot | UNII-2T8Q726O95 | SY037487 | FT-0604447 | SY008863 | 1,2-Diphenyl-1,2-ethanediamine

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

ghl.PD_Mitscher_leg0.530 | SB76790 | (1s,2s)-(-)-1,2-diphenylethylene-1,2-diamine | (2-amino-1,2-diphenyl-ethyl)-amine | 1,2-Diphenylethylenediamine | Aripiprazole Depot | UNII-2T8Q726O95 | SY037487 | FT-0604447 | SY008863 | 1,2-Diphenyl-1,2-ethanediamine

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504756672

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756672

Kanonisches Lächeln

C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N

IUPAC Name

1,2-diphenylethane-1,2-diamine

InChIKey

PONXTPCRRASWKW-UHFFFAOYSA-N

INCHI

1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2

Isomere SMILES

C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N

Alternative CAS-Nummer

5700-60-7

Molekulargewicht

212.30

Reaxy-Rn

2212666

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212666&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Schmelzpunkt (°C): 81°C
• Molekulargewicht: 212.290 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.131 Da
• Monoisotopic Mass: 212.131 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 171.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1