Product Ingredient Amphetamine aspartate monohydratefor DB00182 (Amphetamine)

Name
Amphetamine aspartate monohydrate
Drug
DB00182 (Amphetamine)
Accession Number
DBSALT001501
Structure
Thumb
Synonyms
Amfetamine aspartate monohydrate
UNII
O1ZPV620O4
CAS Number
851591-76-9
Weight
Average: 421.538
Monoisotopic: 421.257671239
Chemical Formula
C22H35N3O5
InChI Key
DAWXRFCLWKUCNS-MNTSKLTCSA-N
InChI
InChI=1S/2C9H13N.C4H7NO4.H2O/c2*1-8(10)7-9-5-3-2-4-6-9;5-2(4(8)9)1-3(6)7;/h2*2-6,8H,7,10H2,1H3;2H,1,5H2,(H,6,7)(H,8,9);1H2/t;;2-;/m..0./s1
IUPAC Name
(2S)-2-aminobutanedioic acid bis(1-phenylpropan-2-amine) hydrate
SMILES
O.N[[email protected]@H](CC(O)=O)C(O)=O.CC(N)CC1=CC=CC=C1.CC(N)CC1=CC=CC=C1
External Links
ChemSpider
32700563
Wikipedia
Amphetamine_aspartate_monohydrate
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 Count7ChemAxon
Refractivity43.71 m3·mol-1ChemAxon
Polarizability16.18 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon