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

CAS: 142986-44-5 Cat. No.: P466449 Molecular Weight: 1429.85 EC Number: 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

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

Specifications & Purity

20wt. % in methanol

Legal Information

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

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical 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
• 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)
• Isomeric 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
• UN Number: 1230
• Molecular Weight: 1429.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: n20/D 1.362
• Flash Point(°F): 51.8 °F
• Flash Point(°C): 11 °C
• Boil Point(°C): 64.7℃
• Molecular Weight: 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