Boc-5-aminolevulinic acid - ≥96% , CAS No.72072-06-1

CAS: 72072-06-1 Cat. No.: B394134 Molecular Weight: 231.25

GRADE & PURITY ≥96%

Synonyms

DTXSID50591998 | SCHEMBL4478336 | 5-{[(tert-butoxy)carbonyl]amino}-4-oxopentanoic acid | EN300-1589493 | 5-(tert-butoxycarbonyl)-4-oxopentanoic acid | AMY21672 | C76296 | DS-12067 | 5-((tert-Butoxycarbonyl)amino)-4-oxopentanoic acid | DKLUNXGTJHDHIV-UHFFF

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DTXSID50591998 | SCHEMBL4478336 | 5-{[(tert-butoxy)carbonyl]amino}-4-oxopentanoic acid | EN300-1589493 | 5-(tert-butoxycarbonyl)-4-oxopentanoic acid | AMY21672 | C76296 | DS-12067 | 5-((tert-Butoxycarbonyl)amino)-4-oxopentanoic acid | DKLUNXGTJHDHIV-UHFFF

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504768668
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768668
• Canonical Smiles: CC(C)(C)OC(=O)NCC(=O)CCC(=O)O
• IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
• InChIKey: DKLUNXGTJHDHIV-UHFFFAOYSA-N
• INCHI: 1S/C10H17NO5/c1-10(2,3)16-9(15)11-6-7(12)4-5-8(13)14/h4-6H2,1-3H3,(H,11,15)(H,13,14)
• Isomeric SMILES: CC(C)(C)OC(=O)NCC(=O)CCC(=O)O
• Molecular Weight: 231.25
• Reaxy-Rn: 9703796
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9703796&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Keto acids and derivatives
      • Subclass Gamma-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Keto acids and derivatives
• Subclass: Gamma-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma-keto acids and derivatives
• Alternative Parents: Short-chain keto acids and derivatives Branched fatty acids Carbamate esters Ketones Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gamma-keto acid - Branched fatty acid - Short-chain keto acid - Fatty acyl - Carbamic acid ester - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 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

• Boil Point(°C): 401.5±25.0°C at 760 mmHg
• Molecular Weight: 231.250 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 231.111 Da
• Monoisotopic Mass: 231.111 Da
• Topological Polar Surface Area: 92.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 279.000
• 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