Boc-Ala-NH2 - ≥98% , CAS No.85642-13-3

CAS: 85642-13-3 Cat. No.: B590362 분자식: C₈H₁₆N₂O₃ 분자량: 188.22 EC 번호: 978-155-7

GRADE & PURITY ≥98%

Synonyms

tert-Butyl[(1S)-2-amino-1-methyl-2-oxoethyl]carbamate | ((S)-1-carbamoyl-ethyl)carbamic acid tert-butyl ester | ((S)-1-carbamoylethyl)carbamic acid tert-butyl ester | tert-butyl N-[(1S)-1-carbamoylethyl]carbamate | N-t-Butyloxycarbonyl-L-alanine amide | t

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

동의어

tert-Butyl[(1S)-2-amino-1-methyl-2-oxoethyl]carbamate | ((S)-1-carbamoyl-ethyl)carbamic acid tert-butyl ester | ((S)-1-carbamoylethyl)carbamic acid tert-butyl ester | tert-butyl N-[(1S)-1-carbamoylethyl]carbamate | N-t-Butyloxycarbonyl-L-alanine amide | t

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light,Desiccated

배송

Wet ice

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순수함

≥98%

이름과 식별자

정식 스마일

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

IUPAC Name

tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate

InChIKey

GZKKSKKIABUUCX-YFKPBYRVSA-N

INCHI

1S/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)/t5-/m0/s1

이성체 SMILES

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

분자량

188.22

Reaxy-Rn

2445910

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2445910&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 Alanine and derivatives

• 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: Alanine and derivatives
• Alternative Parents: Carbamate esters Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alanine or derivatives - Carbamic acid ester - Primary carboxylic acid amide - Carboxamide group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: 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

화학 및 물리적 특성

• 감도: light & Moisture sensitive
• 분자량: 188.220 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 188.116 Da
• Monoisotopic Mass: 188.116 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 208.000
• 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