Substance Identity
CAS Number 152-11-4
Chemical Name Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)-, monohydrochloride
Type of substance Organic
SMILES C(#N)C(c(ccc(OC)c1OC)c1)(C(C)C)CCCNCCCc(ccc(OC)c2OC)c2
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? No
Meets Human Health Categorization Criteria? No
Meets Environmental Criteria for Categorization? No
Persistent (P)? Yes
Rational for P QSAR
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT QSAR
DSL Quantity range (tonnes/year) Unknown Quantity

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 182
MITI probability of biodegradation 0.0623
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.08914

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 3.45
Log BAF T2MTL predicted by Gobas 2.27529753389282
Log BCF 5% T2LTL predicted by Gobas 2.1595660076617
Log BCF Max predicted by OASIS 4.20193164904447
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 8.174729
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 0.967
Toxicity to fish (LC50 in mg/l) as predicted by Aster 8.174729
Toxicity to fish (LC50 in mg/l) as predicted by PNN 82.31215
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.645
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 8.15E-003

Human Health data supporting decisions
Underlying data regarding potential for exposure

LPE/IPE/GPE Lowest Potential for Exposure (HC Simple Exposure Tool)

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment