Product Ingredient Amphetamine sulfatefor DB00182 (Amphetamine)

Name
Amphetamine sulfate
Drug
DB00182 (Amphetamine)
Accession Number
DBSALT001205
Structure
Thumb
Synonyms
Amfetamine sulfate / Benzedrine / beta-phenylisopyropylaminesulfate / DL-amphetamine sulfate / DL-amphetamine sulphate
UNII
6DPV8NK46S
CAS Number
60-13-9
Weight
Average: 368.49
Monoisotopic: 368.176978564
Chemical Formula
C18H28N2O4S
InChI Key
PYHRZPFZZDCOPH-UHFFFAOYSA-N
InChI
InChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)
IUPAC Name
bis(1-phenylpropan-2-amine); sulfuric acid
SMILES
OS(O)(=O)=O.CC(N)CC1=CC=CC=C1.CC(N)CC1=CC=CC=C1
External Links
ChemSpider
5831
ChEBI
51063
Predicted Properties
PropertyValueSource
Water Solubility1.74 mg/mLALOGPS
logP1.85ALOGPS
logP1.8ChemAxon
logS-1.9ALOGPS
pKa (Strongest Basic)10.01ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity43.71 m3·mol-1ChemAxon
Polarizability16.18 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon