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Home Amines 42542-07-4
42542-07-4,MFCD04113760
Catalog No.:AA00C0UF

42542-07-4 | 1-(3,4-Methylenedioxyphenyl)-2-butanamine

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00C0UF
Chemical Name:
1-(3,4-Methylenedioxyphenyl)-2-butanamine
CAS Number:
42542-07-4
Molecular Formula:
C11H16ClNO2
Molecular Weight:
229.7032
MDL Number:
MFCD04113760
SMILES:
CCC(Cc1ccc2c(c1)OCO2)N.Cl
Properties
Properties
 
MP:
>144°C (dec.)  
Storage:
-20 ℃;Keep in dry area;  

Computed Properties
 
Complexity:
186  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.2  

Literature

Title: Principal component analysis coupled with artificial neural networks--a combined technique classifying small molecular structures using a concatenated spectral database.

Journal: International journal of molecular sciences 20110101

Title: Cytotoxic effects of 3,4-methylenedioxy-N-alkylamphetamines, MDMA and its analogues, on isolated rat hepatocytes.

Journal: Archives of toxicology 20090101

Title: The effects of non-medically used psychoactive drugs on monoamine neurotransmission in rat brain.

Journal: European journal of pharmacology 20070322

Title: Enantiomer analysis of a new street drug, 3,4-methylenedioxy-N-methyl-butanamine, in rat urine.

Journal: Journal of analytical toxicology 20020301

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