4-Amino-2-methyl-1-butanol - ≥98% , CAS No.44565-27-7

CAS: 44565-27-7 Cat. No.: A151679 Molecular Weight: 103.17 Beilstein Registry Number: 4(4)1764 EC Number: 677-079-9

GRADE & PURITY ≥98%

Synonyms

SY053486 | SB44749 | 4-Amino-2-methyl-1-butanol | MFCD03093614 | SCHEMBL1006329 | AC-31753 | 4-Amino-2-methyl-1-butanol, AldrichCPR | AKOS006221874 | MFCD03093615 | 4-amino-2-methylbutanol | DUAXLVGFFDFSAG-UHFFFAOYSA-N | AS-40763 | EN300-817842 | DTXSID20

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

SY053486 | SB44749 | 4-Amino-2-methyl-1-butanol | MFCD03093614 | SCHEMBL1006329 | AC-31753 | 4-Amino-2-methyl-1-butanol, AldrichCPR | AKOS006221874 | MFCD03093615 | 4-amino-2-methylbutanol | DUAXLVGFFDFSAG-UHFFFAOYSA-N | AS-40763 | EN300-817842 | DTXSID20

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(CCN)CO
• IUPAC Name: 4-amino-2-methylbutan-1-ol
• InChIKey: DUAXLVGFFDFSAG-UHFFFAOYSA-N
• INCHI: 1S/C5H13NO/c1-5(4-7)2-3-6/h5,7H,2-4,6H2,1H3
• Isomeric SMILES: CC(CCN)CO
• Molecular Weight: 103.17
• Beilstein: 4(4)1764
• Reaxy-Rn: 1719164
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719164&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.46
• Flash Point(°C): 59 °C
• Molecular Weight: 103.160 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• 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: 39.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1