Tricine - UltraBio™, Ultra pure, ≥99%(T), pH 4.0-6.0 (1 M in H2O) , CAS No.5704-04-1

CAS: 5704-04-1 Cat. No.: T432953 Molecular Weight: 179.17 Beilstein Registry Number: 1937804 EC Number: 227-193-6 PubChem CID: 79784

GRADE & PURITY UltraBio™, Ultra pure, ≥99%(T), pH 4.0-6.0 (1 M in H2O)

Synonyms

2-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino)acetic acid | C6H13NO5 | 2-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}acetic acid | N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycine | AKOS015856413 | 2,6,6-Trimethyl-2-cyclohexen-1-carboxaldehyde

Storage

Room temperature

Overview

Application

Buffer component for separation of low molecular weight peptides.

Specifications

Synonyms

2-(1, 3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino)acetic acid | C6H13NO5 | 2-{[1, 3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}acetic acid | N-[2-hydroxy-1, 1-bis(hydroxymethyl)ethyl]glycine | AKOS015856413 | 2, 6, 6-Trimethyl-2-cyclohexen-1-carboxaldehyde

Specifications & Purity

UltraBio™, Ultra pure, ≥99%(T), pH 4.0-6.0 (1 M in H2O)

Storage

Room temperature

Grade

Ultra pure, UltraBio™

Purity

≥99%(T)

Names and Identifiers

• Canonical Smiles: C(C(=O)O)NC(CO)(CO)CO
• IUPAC Name: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
• InChIKey: SEQKRHFRPICQDD-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)
• Isomeric SMILES: C(C(=O)O)NC(CO)(CO)CO
• WGK Germany: 3
• PubChem CID: 79784
• Molecular Weight: 179.17
• Beilstein: 1937804
• Reaxy-Rn: 1937804

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 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• 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 - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Amino acids 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - 1,2-aminoalcohol - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Amine - Organic oxygen compound - Alcohol - Aliphatic acyclic compound
• Description: 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: tricine

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

• Solubility: H2O: 1M, clear, colorless
• Melt Point(°C): 172 °C
• Molecular Weight: 179.170 g/mol
• XLogP3: -5.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 179.079 Da
• Monoisotopic Mass: 179.079 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 137.000
• 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

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