PAMAM dendrimer, ethylenediamine core, generation 1.0 solution - 20wt. % in methanol , CAS No.142986-44-5

CAS: 142986-44-5 Cat. No.: P466449 Peso molecular: 1429.85 Número EC: 621-864-0 PubChem CID: 15314332

GRADE & PURITY 20wt. % in methanol

Synonyms

N~1~,N~24~-Bis(2-aminoethyl)-4,21-bis{3-[(2-aminoethyl)amino]-3-oxopropyl}-11,14-bis(3-{[2-(bis{3-[(2-aminoethyl)amino]-3-oxopropyl}amino)ethyl]amino}-3-oxopropyl)-8,17-dioxo-4,7,11,14,18,21-hexaazatetracosane-1,24-diamide (non-preferred name) | N-(2-amin

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

N~1~, N~24~-Bis(2-aminoethyl)-4, 21-bis{3-[(2-aminoethyl)amino]-3-oxopropyl}-11, 14-bis(3-{[2-(bis{3-[(2-aminoethyl)amino]-3-oxopropyl}amino)ethyl]amino}-3-oxopropyl)-8, 17-dioxo-4, 7, 11, 14, 18, 21-hexaazatetracosane-1, 24-diamide (non-preferred name) | N-(2-amin

Especificaciones y pureza

20wt. % in methanol

Información jurídica

由Dendritech®公司制造。Dendritech is a registered trademark of Dendritech, Inc.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: C(CN(CCC(=O)NCCN)CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)C(=O)NCCN
• IUPAC Name: N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]amino]propanoylamino]ethyl]amino]propanamide
• InChIKey: QVWIZHOFYGKROL-UHFFFAOYSA-N
• INCHI: 1S/C62H128N26O12/c63-13-21-71-51(89)1-33-83(34-2-52(90)72-22-14-64)45-29-79-59(97)9-41-87(42-10-60(98)80-30-46-84(35-3-53(91)73-23-15-65)36-4-54(92)74-24-16-66)49-50-88(43-11-61(99)81-31-47-85(37-5-55(93)75-25-17-67)38-6-56(94)76-26-18-68)44-12-62(100)82-32-48-86(39-7-57(95)77-27-19-69)40-8-58(96)78-28-20-70/h1-50,63-70H2,(H,71,89)(H,72,90)(H,73,91)(H,74,92)(H,75,93)(H,76,94)(H,77,95)(H,78,96)(H,79,97)(H,80,98)(H,81,99)(H,82,100)
• Isómeros SMILES: C(CN(CCC(=O)NCCN)CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)C(=O)NCCN
• PubChem CID: 15314332
• Número ONU: 1230
• Peso molecular: 1429.85

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 Beta amino acids and derivatives

• 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
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Trialkylamines Secondary carboxylic acid amides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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

• Índice de refracción: n20/D 1.362
• Punto de inflamación (°F): 51.8 °F
• Punto de inflamación (°C): 11 °C
• Punto de ebullición (°C): 64.7℃
• Peso molecular: 1429.800 g/mol
• XLogP3: -16.100
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 67
• Exact Mass: 1429.02 Da
• Monoisotopic Mass: 1429.02 Da
• Topological Polar Surface Area: 577.000 Ų
• Heavy Atom Count: 100
• Formal Charge: 0
• Complexity: 1890.000
• 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