D-Valinol - ≥98% , CAS No.4276-09-9

CAS: 4276-09-9 Cat. No.: V118431 분자식: C₅H₁₃NO 분자량: 103.16 Beilstein Registry Number: 1719138 EC 번호: 922-908-4 PubChem CID: 6950587

GRADE & PURITY ≥98%

Synonyms

(2R)-2-amino-3-methyl-1-butanol | EN300-98065 | (-)-2-amino-3-methyl-1-butanol | AS-12364 | Q-200023 | (2R)-2-amino-3-methylbutan-1-ol | HY-30167 | (R)-valinol | 1-Butanol, 2-amino-3-methyl-, (2R)- | Valinol, D- | (1R)-1-Isopropyl-2-hydroxyethylamine | (R

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

(2R)-2-amino-3-methyl-1-butanol | EN300-98065 | (-)-2-amino-3-methyl-1-butanol | AS-12364 | Q-200023 | (2R)-2-amino-3-methylbutan-1-ol | HY-30167 | (R)-valinol | 1-Butanol, 2-amino-3-methyl-, (2R)- | Valinol, D- | (1R)-1-Isopropyl-2-hydroxyethylamine | (R

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 488195904
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195904
• 정식 스마일: CC(C)C(CO)N
• IUPAC Name: (2R)-2-amino-3-methylbutan-1-ol
• InChIKey: NWYYWIJOWOLJNR-YFKPBYRVSA-N
• INCHI: 1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m0/s1
• 이성체 SMILES: CC(C)[C@H](CO)N
• WGK 독일: 3
• PubChem CID: 6950587
• 분자량: 103.16
• Beilstein: 1719138
• Reaxy-Rn: 1719138

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Primary alcohols Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 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

화학 및 물리적 특성

• 감도: Air sensitive
• 굴절률: 1.455
• 특정 회전[α]: -18 ° (C=10, EtOH)
• 발화점(°F): 172.4 °F
• 발화점(°C): 78°C
• 끓는점(°C): 189-190°C
• 녹는점(°C): 32-36°C
• 분자량: 103.160 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 103.1 Da
• Monoisotopic Mass: 103.1 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 45.300
• 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

참고 문헌

1. Lilan Tan, Wenrong Cai, Fangqin Wang, Junyao Li, Datong Wu, Yong Kong.  (2024)  Postsynthetic Modification Strategy for Constructing Electrochemiluminescence-Active Chiral Covalent Organic Frameworks Performing Efficient Enantioselective Sensing.  ANALYTICAL CHEMISTRY,      [PMID:38394220] [10.1021/acs.analchem.3c05887]