Product Ingredient Amphetamine adipatefor DB00182 (Amphetamine)

Name
Amphetamine adipate
Drug
DB00182 (Amphetamine)
Accession Number
DBSALT001323
Structure
Thumb
Synonyms
Amfetamine adipate
UNII
Z58RH02W4M
CAS Number
64770-51-0
Weight
Average: 281.352
Monoisotopic: 281.162708225
Chemical Formula
C15H23NO4
InChI Key
OFCJKOOVFDGTLY-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N.C6H10O4/c1-8(10)7-9-5-3-2-4-6-9;7-5(8)3-1-2-4-6(9)10/h2-6,8H,7,10H2,1H3;1-4H2,(H,7,8)(H,9,10)
IUPAC Name
1-phenylpropan-2-amine; hexanedioic acid
SMILES
CC(N)CC1=CC=CC=C1.OC(=O)CCCCC(O)=O
External Links
ChemSpider
15186703
ChEMBL
CHEMBL1200387
Predicted Properties
PropertyValueSource
Water Solubility32.2 mg/mLALOGPS
logP0.13ALOGPS
logP1.8ChemAxon
logS-0.66ALOGPS
pKa (Strongest Basic)10.01ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity43.71 m3·mol-1ChemAxon
Polarizability16.18 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon