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

CAS: 53448-09-2 Cat. No.: S133878 Molecular Weight: 117.19 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488192234
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192234
• Canonical Smiles: 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
• Isomeric SMILES: CC(C)C[C@H](CO)N
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Rnpep Aminopeptidase B (89 Activities)

Discover Target: Rnpep

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.45
• Specific Rotation[α]: -4° (C=9,EtOH)
• Flash Point(°F): 194°F
• Flash Point(°C): 90°C(lit.)
• Boil Point(°C): 194 °C
• Molecular Weight: 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

References

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]