N,N'-Dibenzylethylenediamine Diacetate - ≥97%(T) , CAS No.122-75-8

CAS: 122-75-8 Cat. No.: N159473 Peso molecular: 360.45 Número EC: 204-572-4

GRADE & PURITY ≥97%(T)

Synonyms

N,N'-Dibenzyl ethylenediamine diacetate | N1,N2-Dibenzylethane-1,2-diamine diacetate | N1,N2-Dibenzylethane-1,2-diaminediacetate | 1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, diacetate | AS-12384 | NSC-33274 | N1,N2-DIBENZYL ETHYLENEDIAMINE DIACETATE | Be

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N, N'-Dibenzyl ethylenediamine diacetate | N1, N2-Dibenzylethane-1, 2-diamine diacetate | N1, N2-Dibenzylethane-1, 2-diaminediacetate | 1, 2-Ethanediamine, N, N'-bis(phenylmethyl)-, diacetate | AS-12384 | NSC-33274 | N1, N2-DIBENZYL ETHYLENEDIAMINE DIACETATE | Be

Especificaciones y pureza

≥97%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(T)

Nombres e identificadores

• Pubchem Sid: 488183136
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183136
• Sonrisas canónicas: CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
• IUPAC Name: acetic acid;N,N'-dibenzylethane-1,2-diamine
• InChIKey: MTRNNCLQPVCDLF-UHFFFAOYSA-N
• INCHI: 1S/C16H20N2.2C2H4O2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;2*1-2(3)4/h1-10,17-18H,11-14H2;2*1H3,(H,3,4)
• Isómeros SMILES: CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
• RTECS: KV3400000
• Peso molecular: 360.45
• Reaxy-Rn: 3781362
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3781362&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water; Soluble in Methanol
• Punto de fusión (°C): 116 °C
• Peso molecular: 360.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 360.205 Da
• Monoisotopic Mass: 360.205 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 3

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