Butylamine (CHEM004147)

Record Information
Version1.0
Creation Date2016-05-19 01:35:54 UTC
Update Date2026-05-14 17:51:07 UTC
Accession NumberCHEM004147
Identification
Common NameButylamine
ClassSmall Molecule
Description
A primary aliphatic amine that is butane substituted by an amino group at position 1.
Contaminant Sources
  • Clean Air Act Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HMDB Contaminants - Feces
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-AminobutanChEBI
1-AminobutaneChEBI
1-ButanamineChEBI
ButanamineChEBI
ButylamineChEBI
mono-N-ButylamineChEBI
MonobutylamineChEBI
N-ButylaminChEBI
N-ButylamineChEBI
N-C4H9NH2ChEBI
1-Butanamine, 9ciHMDB
AminobutaneHMDB
FEMA 3130HMDB
NorralamineHMDB
NorvalamineHMDB
N-Butylamine hydrobromideMeSH, HMDB
N-Butylamine hydrochloride, 14C-labeled CPDMeSH, HMDB
N-Butylamine hydrochlorideMeSH, HMDB
1-ButylamineChEBI
Chemical FormulaC4H11N
Average Molecular Mass73.137 g/mol
Monoisotopic Mass73.089 g/mol
CAS Registry Number109-73-9
IUPAC Namebutan-1-amine
Traditional Namebutylamine
SMILESCCCCN
InChI IdentifierInChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
InChI KeyHQABUPZFAYXKJW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentMonoalkylamines
Alternative Parents
Substituents
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility80.7 g/LALOGPS
logP0.85ALOGPS
logP0.7ChemAxon
logS0.04ALOGPS
pKa (Strongest Basic)10.21ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity23.79 m³·mol⁻¹ChemAxon
Polarizability9.66 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDDB03659
HMDB IDHMDB0031321
FooDB IDFDB003380
Phenol Explorer IDNot Available
KNApSAcK IDC00050486
BiGG IDNot Available
BioCyc IDBUTYLAMINE
METLIN IDNot Available
PDB IDLYT
Wikipedia LinkN-Butylamine
Chemspider ID7716
ChEBI ID43799
PubChem Compound ID8007
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=16387436
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=23470444
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=23734590
4. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.