Boc-D-Ala-OMe - ≥98% , CAS No.91103-47-8

CAS: 91103-47-8 Cat. No.: B136812 분자식: CH₃CH[NHCO₂C(CH₃)₃]CO₂CH₃ 분자량: 203.24 Beilstein Registry Number: 4310313

GRADE & PURITY ≥98%

Synonyms

Boc-D-Ala-OMe | D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester | MFCD00191865 | N-(tert-butyloxycarbonyl)-D-alanine methyl ester | methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | (R)-methyl 2-(tert-butoxycarbonylamino)propano

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

Boc-D-Ala-OMe | D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester | MFCD00191865 | N-(tert-butyloxycarbonyl)-D-alanine methyl ester | methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | (R)-methyl 2-(tert-butoxycarbonylamino)propano

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

488190853

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190853

정식 스마일

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

IUPAC Name

methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

InChIKey

GJDICGOCZGRDFM-ZCFIWIBFSA-N

INCHI

1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m1/s1

이성체 SMILES

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

WGK 독일

3

분자량

203.24

Beilstein

4310313

Reaxy-Rn

1955147

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1955147&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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 acid esters
• Alternative Parents: Alanine and derivatives Methyl esters Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Alanine or derivatives - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 녹는점(°C): 34-37 °C
• 분자량: 203.240 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 203.116 Da
• Monoisotopic Mass: 203.116 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• 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