4-(Butylamino)-1-butanol - ≥99%(GC)(T) , CAS No.4543-95-7

CAS: 4543-95-7 Cat. No.: B151924 Molecular Weight: 145.25 EC Number: 109-509-3

GRADE & PURITY ≥99%(GC)(T)

Synonyms

N-n-Butyl-n-butan-4-ol-amine | FT-0744334 | DTXSID60196514 | BS-23181 | Butyl(4-hydroxybutyl)amine | SY052329 | 1-BUTANOL, 4-(BUTYLAMINO)- | N-butylamino-4-butanol | hydroxybutylbutylamine | N-Butyl-4-hydroxybutylamine | 4-(Butylamino)-1-butanol # | 4-but

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

N-n-Butyl-n-butan-4-ol-amine | FT-0744334 | DTXSID60196514 | BS-23181 | Butyl(4-hydroxybutyl)amine | SY052329 | 1-BUTANOL, 4-(BUTYLAMINO)- | N-butylamino-4-butanol | hydroxybutylbutylamine | N-Butyl-4-hydroxybutylamine | 4-(Butylamino)-1-butanol # | 4-but

Specifications & Purity

≥99%(GC)(T)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(GC)(T)

Names and Identifiers

• Pubchem Sid: 488182636
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182636
• Canonical Smiles: CCCCNCCCCO
• IUPAC Name: 4-(butylamino)butan-1-ol
• InChIKey: OPUJAKVDYGQVHP-UHFFFAOYSA-N
• INCHI: 1S/C8H19NO/c1-2-3-6-9-7-4-5-8-10/h9-10H,2-8H2,1H3
• Isomeric SMILES: CCCCNCCCCO
• Molecular Weight: 145.25
• Reaxy-Rn: 1735171
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735171&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanolamines
• Alternative Parents: Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary amine - Secondary aliphatic amine - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkanolamines. These are organic compounds that carry a hydroxy and an amino functional groups on an alkane backbone.
• 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

• Refractive Index: 1.45
• Boil Point(°C): 132°C/10mmHg(lit.)
• Molecular Weight: 145.240 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 145.147 Da
• Monoisotopic Mass: 145.147 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 57.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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. Jingwen Dong, Chenfei Zhu, Ying Huang, Quanhao Li, Jing Li, Zheng Wang, Yixin Wang, Zhanwei Zhou, Minjie Sun.  (2022)  Reversing the PAI-1-induced fibrotic immune exclusion of solid tumor by multivalent CXCR4 antagonistic nano-permeator.  Acta Pharmaceutica Sinica B,      [PMID:37521859] [10.1016/j.apsb.2022.12.012]