Boc-D-Ala-OH - ≥98% , CAS No.7764-95-6

CAS: 7764-95-6 Cat. No.: B101451 Formula: C₈H₁₅NO₄ Molecular Weight: 189.21 Beilstein Registry Number: 4905241 EC Number: 616-484-7

GRADE & PURITY ≥98%

Synonyms

(2R)-2-(tert-butoxycarbonylamino)propanoic acid | AKOS015922841 | MFCD00063123 | N-(tert-Butoxycarbonyl)-D-alanine | BOC--D--Ala--OH | Boc-D-Ala-OH | BOC-D-Ala--OH | Boc-DAla-OH | EN300-55380 | Boc-(D)-alanine | Boc-D-Ala-OH, >=98.0% (TLC) | BP-12828 | N-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(2R)-2-(tert-butoxycarbonylamino)propanoic acid | AKOS015922841 | MFCD00063123 | N-(tert-Butoxycarbonyl)-D-alanine | BOC--D--Ala--OH | Boc-D-Ala-OH | BOC-D-Ala--OH | Boc-DAla-OH | EN300-55380 | Boc-(D)-alanine | Boc-D-Ala-OH, >=98.0% (TLC) | BP-12828 | N-

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

Pubchem Sid

504759631

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759631

Canonical Smiles

CC(C(=O)O)NC(=O)OC(C)(C)C

IUPAC Name

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

InChIKey

QVHJQCGUWFKTSE-RXMQYKEDSA-N

INCHI

1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1

Isomeric SMILES

C[C@H](C(=O)O)NC(=O)OC(C)(C)C

WGK Germany

3

Molecular Weight

189.21

Beilstein

4905241

Reaxy-Rn

1103973

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1103973&ln=

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 Alanine 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 - Alpha amino acids and derivatives
• Direct Parent: Alanine and derivatives
• 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: Alanine or derivatives - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - 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 alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Specific Rotation[α]: 26 ° (C=2, AcOH)
• Melt Point(°C): 81-84°C
• Molecular Weight: 189.210 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 189.1 Da
• Monoisotopic Mass: 189.1 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 207.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 7764-95-6, the molecular formula is C8H15NO4, and the molecular weight is 189.21 g/mol. InChIKey QVHJQCGUWFKTSE-RXMQYKEDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.