alpha-Naphthylamine (CHEM004194)

Record Information
Version1.0
Creation Date2016-05-19 01:37:04 UTC
Update Date2026-08-18 06:39:31 UTC
Accession NumberCHEM004194
Identification
Common Namealpha-Naphthylamine
ClassSmall Molecule
Description
A naphthylamine that is naphthalene substituted by an amino group at position 1.
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 3
  • STOFF IDENT Compounds
  • Tobacco Smoke Compounds
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Human Neurotoxin
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-AminonaphthaleneChEBI
1-NaftilaminaChEBI
1-NaphthalamineChEBI
1-NaphthalenamineChEBI
1-NaphthylaminChEBI
alpha-AminonaphthaleneChEBI
alpha-NaphthylamineChEBI
Naphthalen-1-ylamineChEBI
a-AminonaphthaleneGenerator
Α-aminonaphthaleneGenerator
a-NaphthylamineGenerator
Α-naphthylamineGenerator
1 AminonaphthaleneMeSH
1 NaphthylamineMeSH
8 AminonaphthaleneMeSH
8-AminonaphthaleneMeSH
NaphthalidineMeSH
alpha NaphthylamineMeSH
Chemical FormulaC10H9N
Average Molecular Mass143.189 g/mol
Monoisotopic Mass143.073 g/mol
CAS Registry Number134-32-7
IUPAC Namenaphthalen-1-amine
Traditional Nameα naphthylamine
SMILESNC1=C2C=CC=CC2=CC=C1
InChI IdentifierInChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
InChI KeyRUFPHBVGCFYCNW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
KingdomOrganic compounds
Super ClassBenzenoids
ClassNaphthalenes
Sub ClassNot Available
Direct ParentNaphthalenes
Alternative Parents
Substituents
  • Naphthalene
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Amine
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic 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 Solubility0.48 g/LALOGPS
logP2.27ALOGPS
logP2.13ChemAxon
logS-2.5ALOGPS
pKa (Strongest Basic)4.13ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity47.21 m³·mol⁻¹ChemAxon
Polarizability15.93 ųChemAxon
Number of Rings2ChemAxon
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 IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDC00058632
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia Link1-Naphthylamine
Chemspider ID8319
ChEBI ID50450
PubChem Compound ID8640
Kegg Compound IDC14790
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=23706116
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=24735928