4,4’-Diaminodiphenylmethane(4,4'-MDA) - Standard for GC, ≥99%(GC) , CAS No.101-77-9

CAS: 101-77-9 Cat. No.: D108781 Formula: C₁₃H₁₄N₂ Peso molecolare: 198.28 Beilstein Registry Number: 13238 Numero EC: 202-974-4

QUALITÀ & PUREZZA Standard for GC, ≥99%(GC)

Synonyms

MDA | 4,4'-Methylenebis(aniline) | BIDD:ER0255 | HSDB 2541 | 4-(4-Aminobenzyl)phenylamine | BBL022928 | 4,4'-Methylenebisaniline | 4,4'-METHYLENEDIANILINE [HSDB] | Curithane | EINECS 202-974-4 | 4, 4'-Diaminodiphenylmethan(GERMAN) | CHEBI:32506 | 4, 4'-Di

Storage

Room temperature

Shipped In

FedEx DG Service

Panoramica

4,4′-diaminodiphenylmethane acts as a bidentate-bridging ligand, forming hydrogen bonds with its amine hydrogen atoms, and also participates in several non-covalent interactions.

Specifiche

Sinonimi

MDA | 4,4'-Methylenebis(aniline) | BIDD:ER0255 | HSDB 2541 | 4-(4-Aminobenzyl)phenylamine | BBL022928 | 4,4'-Methylenebisaniline | 4,4'-METHYLENEDIANILINE [HSDB] | Curithane | EINECS 202-974-4 | 4, 4'-Diaminodiphenylmethan(GERMAN) | CHEBI:32506 | 4, 4'-Di

Specifiche e purezza

Standard for GC, ≥99%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Grado

Standard for GC

Purezza

≥99%(GC)

Nomi e identificatori

Pubchem Sid

528759402

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759402

Sorrisi canonici

C1=CC(=CC=C1CC2=CC=C(C=C2)N)N

IUPAC Name

4-[(4-aminophenyl)methyl]aniline

InChIKey

YBRVSVVVWCFQMG-UHFFFAOYSA-N

INCHI

1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2

Isomeri SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)N)N

WGK Germania

3

RTECS

BY5425000

Numero UN

2651

Gruppo di imballaggio

III

Peso molecolare

198.28

Beilstein

13238

Reaxy-Rn

474706

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=474706&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: aromatic amine

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

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PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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Mus musculus (284745 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Difficult to dissolve in water, easily soluble in ethanol, ether, and benzene.
• Punto di infiammabilità (°F): 446 °F
• Punto di infiammabilità (°C): 230 °C
• Punto di ebollizione (°C): 398～399°C
• Punto di fusione (°C): 91.5-92°C
• Peso molecolare: 198.260 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.116 Da
• Monoisotopic Mass: 198.116 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 157.000
• 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: 1