N-(tert-Butoxycarbonyl)-5-aminovaleric Acid - ≥98%(GC) , CAS No.27219-07-4

CAS: 27219-07-4 Cat. No.: I135417 Molecular Weight: 217.27 Beilstein Registry Number: 2048860 EC Number: 628-000-1

GRADE & PURITY ≥98%(GC)

Synonyms

5-[(tert-Butoxycarbonyl)amino]valeric Acid | DS-15109 | N-(tert-Butoxycarbonyl)-5-aminovaleric Acid | 5-(Boc-amino)valeric acid | AMY22638 | N-[3-[4,5-Dihydro-4-methyl-6-[[4-(4-morpholinylcarbonyl)phenyl]amino]-5-oxo-2-pyrazinyl]-2-methylphenyl]-4-(1,1-di

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

5-[(tert-Butoxycarbonyl)amino]valeric Acid | DS-15109 | N-(tert-Butoxycarbonyl)-5-aminovaleric Acid | 5-(Boc-amino)valeric acid | AMY22638 | N-[3-[4, 5-Dihydro-4-methyl-6-[[4-(4-morpholinylcarbonyl)phenyl]amino]-5-oxo-2-pyrazinyl]-2-methylphenyl]-4-(1, 1-di

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504759198
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759198
• Canonical Smiles: CC(C)(C)OC(=O)NCCCCC(=O)O
• IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
• InChIKey: GFMRZAMDGJIWRB-UHFFFAOYSA-N
• INCHI: 1S/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
• Isomeric SMILES: CC(C)(C)OC(=O)NCCCCC(=O)O
• WGK Germany: 3
• Molecular Weight: 217.27
• Beilstein: 2048860
• Reaxy-Rn: 2048862
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048862&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched fatty acids
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched fatty acid - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain.
• 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

• Solubility: Soluble in Methanol
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 168 °C/0.8 mmHg
• Melt Point(°C): 48-52°C
• Molecular Weight: 217.260 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 217.131 Da
• Monoisotopic Mass: 217.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 220.000
• 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