D-(-)-Leucinol - ≥97%(GC) , CAS No.53448-09-2

CAS: 53448-09-2 Cat. No.: S133878 分子式: C₆H₁₅NO 分子量: 117.19 EC番号: 681-016-0

GRADE & PURITY ≥97%(GC)

Synonyms

2-Amino-4-methyl-pentan-1-ol | SCHEMBL56091 | H-D-Leu-ol | Q-102753 | L0236 | (R)-(-)-Leucinol, 98% | AKOS006281831 | DTXSID101044482 | (R)-(-)-Leucinol | (R)(-)leucinol | AM20100311 | EN300-300248 | (1R)-1-(Hydroxymethyl)-3-methylbutylamine | AKOS0158418

Storage

Room temperature

Shipped In

Normal

概要

N-Protection and transformation of OH group. Selective O-derivatization.

Specifications

同義語

2-Amino-4-methyl-pentan-1-ol | SCHEMBL56091 | H-D-Leu-ol | Q-102753 | L0236 | (R)-(-)-Leucinol, 98% | AKOS006281831 | DTXSID101044482 | (R)-(-)-Leucinol | (R)(-)leucinol | AM20100311 | EN300-300248 | (1R)-1-(Hydroxymethyl)-3-methylbutylamine | AKOS0158418

仕様と純度

≥97%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥97%(GC)

名前と識別子

パブケム・シド

488192234

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488192234

カノニカル・スマイル

CC(C)CC(CO)N

IUPAC Name

(2R)-2-amino-4-methylpentan-1-ol

InChIKey

VPSSPAXIFBTOHY-ZCFIWIBFSA-N

INCHI

1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1

異性体SMILES

CC(C)C[C@H](CO)N

分子量

117.19

Reaxy-Rn

1719239

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719239&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• 説明: 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

関連ターゲット（人間）

ANPEP Tchem Aminopeptidase N (863 Activities)

Discover Target: ANPEP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LAP3 Tchem Leucine aminopeptidase (179 Activities)

Discover Target: LAP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Rnpep Aminopeptidase B (89 Activities)

Discover Target: Rnpep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.45
• 比旋光度［α］: -4° (C=9,EtOH)
• 引火点（°F）: 194°F
• 引火点（°C）: 90°C(lit.)
• 沸点（°C）: 194 °C
• 分子量: 117.190 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 117.115 Da
• Monoisotopic Mass: 117.115 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 54.500
• 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