N-Methyliminodiacetic Acid - ≥98% , CAS No.4408-64-4

CAS: 4408-64-4 Cat. No.: M129189 Peso molecular: 147.13 Beilstein Registry Number: 1765449 Número EC: 224-557-6

GRADE & PURITY ≥98%

Synonyms

M2090 | 2,2'-(methyl azanediyl)diacetic acid | AMY25152 | Methyliminodiacetic acid | A7026 | SY011911 | J-523682 | DTXSID00196033 | BCP21664 | MIDA | Methyliminodiacetic acid, 99% | UNII-SH1YP5H4NA | EINECS 224-557-6 | N-(carboxymethyl)-N-methylGlycine |

Storage

Room temperature

Shipped In

Normal

Descripción general

Suzuki Cross-Coupling with MIDA Boronates

Specifications

Sinónimos

M2090 | 2, 2'-(methyl azanediyl)diacetic acid | AMY25152 | Methyliminodiacetic acid | A7026 | SY011911 | J-523682 | DTXSID00196033 | BCP21664 | MIDA | Methyliminodiacetic acid, 99% | UNII-SH1YP5H4NA | EINECS 224-557-6 | N-(carboxymethyl)-N-methylGlycine |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182621
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182621
• Sonrisas canónicas: CN(CC(=O)O)CC(=O)O
• IUPAC Name: 2-[carboxymethyl(methyl)amino]acetic acid
• InChIKey: XWSGEVNYFYKXCP-UHFFFAOYSA-N
• INCHI: 1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
• Isómeros SMILES: CN(CC(=O)O)CC(=O)O
• WGK Alemania: 3
• Peso molecular: 147.13
• Beilstein: 1765449
• Reaxy-Rn: 1765449
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1765449&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Dicarboxylic acids and derivatives Trialkylamines Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Dicarboxylic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

Objetivos asociados (humanos)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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T47D (39041 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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Hs-578T (29457 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water. Slightly soluble in dimethyl sulfoxide.
• Punto de fusión (°C): 220°C
• Peso molecular: 147.130 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 147.053 Da
• Monoisotopic Mass: 147.053 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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

Referencias

1. Long Li, Xuanhao Huang, Xiaoyang Hu, Xingyue Liu, Rui Li, Hang Zhou, Fengfeng Li, Fangxiang Luo, Qingjiang Pan, Songdong Ding.  (2024)  Highly selective separation of 99TcO4−/ReO4− with rapid liquid-liquid two-phase disengagement by amine-diamide ligands.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.114747]

2. Yuhua Song, Ru Yan, Rui Dong, Ping Wen, Mingjin Fan.  (2025)  Atomic anchoring and friction-induced graphitization in nitrilotriacetate esters for customizable lubrication.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2025.129166]