1,2-Diphenylethylamine - ≥97% , CAS No.25611-78-3

CAS: 25611-78-3 Cat. No.: D154742 Molecular Weight: 197.28 Beilstein Registry Number: 12(4)3313 EC Number: 247-126-4

GRADE & PURITY ≥97%

Synonyms

.alpha.-Benzylbenzylamine | 1,2-Diphenylethanamine # | HMS1780N20 | 1-Amino-1,2-diphenylethane | 1,2-Diphenylethanamine | alpha-Phenylbenzeneethanamine | AKOS016050243 | SY051728 | (-)-1,2-diphenylethylamine | D1144 | FT-0638539 | EN300-12654 | STL326871

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

.alpha.-Benzylbenzylamine | 1, 2-Diphenylethanamine # | HMS1780N20 | 1-Amino-1, 2-diphenylethane | 1, 2-Diphenylethanamine | alpha-Phenylbenzeneethanamine | AKOS016050243 | SY051728 | (-)-1, 2-diphenylethylamine | D1144 | FT-0638539 | EN300-12654 | STL326871

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488183019
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183019
• Canonical Smiles: C1=CC=C(C=C1)CC(C2=CC=CC=C2)N
• IUPAC Name: 1,2-diphenylethanamine
• InChIKey: DTGGNTMERRTPLR-UHFFFAOYSA-N
• INCHI: 1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
• Isomeric SMILES: C1=CC=C(C=C1)CC(C2=CC=CC=C2)N
• WGK Germany: 3
• RTECS: SI2299000
• Molecular Weight: 197.28
• Beilstein: 12(4)3313
• Reaxy-Rn: 2047247
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047247&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: Amphetamines and derivatives Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Amphetamine or derivatives - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.5790-1.5820
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 ℃
• Boil Point(°C): 310-311℃
• Molecular Weight: 197.270 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 197.12 Da
• Monoisotopic Mass: 197.12 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1