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Identification
Name Butylamine
Accession Number DB03659 (EXPT02080)
Type small molecule
Groups experimental
Description

Butylamine is an organic compound, specifically, an amine. This colourless liquid is one of the four isomeric amines of butane, the others being sec-butylamine, tert-butylamine and isobutylamine. At standard temperature and pressure, n-butylamine is a liquid having the fishy, ammonia-like odor common to amines. The liquid acquires a yellow colour upon storage in air. It is soluble in all organic solvents. [Wikipedia]
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
1-aminobutane
1-butanamine
n-butylamine
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 109-73-9
Weight Average: 73.1368
Monoisotopic: 73.089149357
Chemical Formula C4H11N
InChI Key InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
Plain Text
IUPAC Name
butan-1-amine
SMILES
CCCCN
Plain Text
Mass Spec show (7.17 KB)
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Oral rat LD50 is 366 mg/kg.
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State liquid
Experimental Properties
Property Value Source
melting point -49.1 °C PhysProp
boiling point 77 °C PhysProp
water solubility 1E+006 mg/L (at 20 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992)
logP 0.97 HANSCH,C ET AL. (1995)
pKa 10.8 (at 20 °C) PERRIN,DD (1965)
Predicted Properties
Property Value Source
water solubility 8.07e+01 g/l ALOGPS
logP 0.85 ALOGPS
logP 0.7 ChemAxon
logS 0.04 ALOGPS
pKa (strongest basic) 10.21 ChemAxon
physiological charge 1 ChemAxon
hydrogen acceptor count 1 ChemAxon
hydrogen donor count 1 ChemAxon
polar surface area 26.02 ChemAxon
rotatable bond count 2 ChemAxon
refractivity 23.79 ChemAxon
polarizability 9.66 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 8007 Link_out
PubChem Substance 46508030 Link_out
ChEBI 43799 Link_out
ChEMBL 43799 Link_out
HET LYT Link_out
Wikipedia http://en.wikipedia.org/wiki/N-Butylamine Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS show (76.7 KB)
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. Candidapepsin-2

Pharmacological action: unknown

Preferential cleavage at the carboxyl of hydrophobic amino acids, but fails to cleave 15-Leu-|-Tyr-16, 16- Tyr-|-Leu-17 and 24-Phe-|-Phe-25 of insulin B chain. Activates trypsinogen, and degrades keratin

Organism class: fungal
UniProt ID: P28871 Link_out
Gene: SAP2
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:22